AG00GTWX

870281-86-0 | (S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one

AG00GTWX

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CAS Number	870281-86-0
Catalog Number	AG00GTWX(AGN-PC-0OKRS1)
Chemical Name	(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
IUPAC Name	2-[(1S)-1-aminopropyl]-5-fluoro-3-phenylquinazolin-4-one
InChI	InChI=1S/C17H16FN3O/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11/h3-10,13H,2,19H2,1H3/t13-/m0/s1
InChI Key	BNMGOWXQUZHWIO-ZDUSSCGKSA-N
MDL Number	MFCD22124614
Molecular Formula	C17H16FN3O
Molecular Weight	297.3268
SMILES	O=C1N(C2=CC=CC=C2)C([C@@H](N)CC)=NC3=C1C(F)=CC=C3
Synonyms	870281-86-0, (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-, BNMGOWXQUZHWIO-ZDUSSCGKSA-N, Tube703, SCHEMBL356152, KS-00000SLY, CS-M1256, 2965AH, MFCD22124614, ZINC95079999, AKOS024462668, DS-7776, EBD2713780, SB18153, AC-29966, (S)-2-(1-amino-propyl)-5-fluoro-3-phenyl-3H-quinazolin-4-one, [(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one], 2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-3,4-dihydroquinazolin-4-one, C17H16FN3O, ACN-028567,

Complexity	447
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	297.128g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	297.333g/mol
Monoisotopic Mass	297.128g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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