AG00CKN3

40522-46-1 | 4(1H)​-​Quinolinone, 2-​heptyl-

AG00CKN3

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CAS Number	40522-46-1
Catalog Number	AG00CKN3(AGN-PC-0JPOPE)
Chemical Name	4(1H)​-​Quinolinone, 2-​heptyl-
IUPAC Name	2-heptyl-1H-quinolin-4-one
InChI	InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
InChI Key	UYRHHBXYXSYGHA-UHFFFAOYSA-N
MDL Number	MFCD16619170
Molecular Formula	C16H21NO
Molecular Weight	243.3440
SMILES	O=c1c2c([nH]c(c1)CCCCCCC)cccc2
Synonyms	2-heptyl-4-hydroxyquinoline, MY 12-62c, MY-12-62c, MY12-62c, 2-heptylquinolin-4(1H)-one, 40522-46-1, 2-heptyl-4-quinolone, 2-heptyl-4(1H)-quinolone, TCMDC-132026, 2-Heptyl-4-hydroxyquinoline, 2-heptyl-1H-quinolin-4-one, MY-12-62c, 4-Quinolinol, 2-heptyl-, 2503-80-2, MY 12-62c, 4-hydroxy-2-heptylquinoline, CHEBI:62219, Pyo Ib, AK118992, HHQ, pseudan VII, 2-heptylquinolin-4-ol, AC1L4VUL, AC1Q2VWJ, 2-heptyl-4(1H)-quinoline, SCHEMBL170164, CHEMBL527817, CHEBI:75306, CTK1A3701, DTXSID00179740, UYRHHBXYXSYGHA-UHFFFAOYSA-N, KS-00000R0F, MFCD16619170, ZINC48307275, AKOS015899644, AKOS030551574, MP-2019, AX8244408, 4CH-012314, FT-0764828, Z4710, C20643, 522H461, I14-11549, 2-heptyl-4-quinolinol, 2-Heptylquinoline-4(1H)-one, C16H21NO, AR-1L5900, CID164974, 2951-17-9,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.162g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.35g/mol
Monoisotopic Mass	243.162g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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