2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide

C24H20FN3O2 — CID 42715717

IUPAC2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C24H20FN3O2/c1-16(27(2)23(29)18-12-6-8-14-20(18)25)22-26-21-15-9-7-13-19(21)24(30)28(22)17-10-4-3-5-11-17/h3-16H,1-2H3
InChIKeyORTSDAJULWMWNS-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.36
Rot. Bonds4

About 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide

2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide (PubChem CID 42715717) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
PubChem CID42715717
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
SMILESCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C24H20FN3O2/c1-16(27(2)23(29)18-12-6-8-14-20(18)25)22-26-21-15-9-7-13-19(21)24(30)28(22)17-10-4-3-5-11-17/h3-16H,1-2H3
InChIKeyORTSDAJULWMWNS-UHFFFAOYSA-N
XLogP4.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 42716924
N-benzyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-fluorobenzamide
CID 42721898
2-fluoro-N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42727689
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N,3-dimethylbutanamide
CID 42716375
2-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42719027
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
N-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-1-carboxamide
CID 42720060
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methoxy-N-methylbenzamide
CID 42716330
N-ethyl-2-fluoro-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717191
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696
N-ethyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]propanamide
CID 42715387

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide (CID 42715717) is 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide is CC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(C)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
The InChIKey is ORTSDAJULWMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16(27(2)23(29)18-12-6-8-14-20(18)25)22-26-21-15-9-7-13-19(21)24(30)28(22)17-10-4-3-5-11-17/h3-16H,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide?
2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 42715717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).