N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide

C23H18FN3O2 — CID 1456531

IUPACN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c1-15-25-21-12-11-19(26-22(28)17-5-3-2-4-6-17)13-20(21)23(29)27(15)14-16-7-9-18(24)10-8-16/h2-13H,14H2,1H3,(H,26,28)
InChIKeyMXZMTUPGWUODRU-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.14
Rot. Bonds4

About N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide (PubChem CID 1456531) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
PubChem CID1456531
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c1-15-25-21-12-11-19(26-22(28)17-5-3-2-4-6-17)13-20(21)23(29)27(15)14-16-7-9-18(24)10-8-16/h2-13H,14H2,1H3,(H,26,28)
InChIKeyMXZMTUPGWUODRU-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
N-[3-[(4-cyanophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]thiophene-2-carboxamide
CID 1456631
N-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434244
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
N-[2-benzyl-3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-4-chlorobenzamide
CID 3188187
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide (CID 1456531) is N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide is Cc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide?
The InChIKey is MXZMTUPGWUODRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-15-25-21-12-11-19(26-22(28)17-5-3-2-4-6-17)13-20(21)23(29)27(15)14-16-7-9-18(24)10-8-16/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide?
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide is sourced from PubChem (CID 1456531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).