4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C17H13F2N3O3 — CID 9105716

IUPAC4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F2N3O3/c1-10-20-14-5-3-2-4-13(14)16(24)22(10)21-15(23)11-6-8-12(9-7-11)25-17(18)19/h2-9,17H,1H3,(H,21,23)
InChIKeyFUYRBWCJFZPPMB-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.69
Rot. Bonds4

About 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 9105716) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID9105716
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H13F2N3O3/c1-10-20-14-5-3-2-4-13(14)16(24)22(10)21-15(23)11-6-8-12(9-7-11)25-17(18)19/h2-9,17H,1H3,(H,21,23)
InChIKeyFUYRBWCJFZPPMB-UHFFFAOYSA-N
XLogP2.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 4778135
3-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 94796342
N-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methoxybenzamide
CID 2202336
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-(2-methylbenzimidazol-1-yl)benzamide
CID 71380365
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
CID 6142695
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
4-(difluoromethoxy)-N-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetyl]benzamide
CID 55495293

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 9105716) is 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is FUYRBWCJFZPPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-10-20-14-5-3-2-4-13(14)16(24)22(10)21-15(23)11-6-8-12(9-7-11)25-17(18)19/h2-9,17H,1H3,(H,21,23).
What are the key properties of 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 345.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 9105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).