AG0037SX

459168-41-3 | (5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone

AG0037SX

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CAS Number	459168-41-3
Catalog Number	AG0037SX(AGN-PC-09QGNT)
Chemical Name	(5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
IUPAC Name	(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
InChI	InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
InChI Key	HUQJRYMLJBBEDO-UHFFFAOYSA-N
MDL Number	MFCD04343337
Molecular Formula	C14H16ClN3O
Molecular Weight	277.7493
SMILES	ClC=1C=C2C=C(NC2=CC1)C(=O)N1CCN(CC1)C
UNII	4H1AU2V37X
Synonyms	1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine, JNJ 7777120, JNJ7777120, JNJ-7777120, 459168-41-3, JNJ7777120, JNJ 7777120, UNII-4H1AU2V37X, HUQJRYMLJBBEDO-UHFFFAOYSA-N, 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine, 4H1AU2V37X, CHEMBL129198, (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone, 1-[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]-4-METHYL-PIPERAZINE, 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine, (5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone, (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-methanone, METHANONE, (5-CHLORO-1H-INDOL-2-YL)(4-METHYL-1-PIPERAZINYL)-, STK175446, [3H]-JNJ7777120, [3H]JNJ 7777120, AC1NK6AJ, SCHEMBL186434, GTPL1278, GTPL1279, BDBM22566, CTK8E8457, KS-00000XLK, HMS3651L08, AOB33758, BCP06355, EX-A2082, 2490AH, MFCD04343337, s2905, ZINC19868747, AKOS005410426, CS-4964, ES-0048, MCULE-4664243664, RL03714, SB19527, NCGC00165814-01, NCGC00165814-02, NCGC00165814-04, AK289385, BC252565, HY-13508, LS-192017, RT-013403, FT-0747430, SW219424-1, A12713, AB00815151-06, JNJ7777120, >=98% (HPLC), J-521699, (5-chloro-1H-indol-2-yl)(4-methylpiperazino)methanone, (5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone, 5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1h-indole, (5-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-metha none, C14H16ClN3O, D06IFH, D0E9SR, cc-672, CID4908365, B1574, C484309,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.098g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	277.752g/mol
Monoisotopic Mass	277.098g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	39.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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