N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide

C18H16FN3O2 — CID 136531921

IUPACN-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc2c(=O)[nH]cnc2cc1F)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-2-12(11-6-4-3-5-7-11)18(24)22-16-8-13-15(9-14(16)19)20-10-21-17(13)23/h3-10,12H,2H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyDSVHNOIXTMEXQU-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.19
Rot. Bonds4

About N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide

N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide (PubChem CID 136531921) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide
PubChem CID136531921
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc2c(=O)[nH]cnc2cc1F)c1ccccc1
InChIInChI=1S/C18H16FN3O2/c1-2-12(11-6-4-3-5-7-11)18(24)22-16-8-13-15(9-14(16)19)20-10-21-17(13)23/h3-10,12H,2H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyDSVHNOIXTMEXQU-UHFFFAOYSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-methylsulfanylbutanamide
CID 136849071
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-(2-methoxyphenyl)acetamide
CID 135903572
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
7-fluoro-6-(methylamino)-3H-quinazolin-4-one
CID 146792791
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
4-chloro-2-[[(2S)-2-phenylbutanoyl]amino]benzoic acid
CID 2204406
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
N-(1H-imidazol-2-yl)-2-phenylbutanamide
CID 60967236
(2R)-N-(2-methylquinolin-5-yl)-2-phenylbutanamide
CID 51896436
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide?
The IUPAC name of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide (CID 136531921) is N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide?
The canonical SMILES for N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide is CCC(C(=O)Nc1cc2c(=O)[nH]cnc2cc1F)c1ccccc1.
What is the InChIKey of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide?
The InChIKey is DSVHNOIXTMEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-12(11-6-4-3-5-7-11)18(24)22-16-8-13-15(9-14(16)19)20-10-21-17(13)23/h3-10,12H,2H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide?
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide has a molecular weight of 325.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-phenylbutanamide is sourced from PubChem (CID 136531921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).