N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide

C24H16ClF3N4O3 — CID 135520524

IUPACN-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C24H16ClF3N4O3/c1-12-2-5-15(31-21(33)14-3-6-18(25)17(9-14)24(26,27)28)10-20(12)32-22(34)13-4-7-19-16(8-13)23(35)30-11-29-19/h2-11H,1H3,(H,31,33)(H,32,34)(H,29,30,35)
InChIKeyYYOGNGPIJDJXOR-UHFFFAOYSA-N
MW500.86 g/mol
LogP5.41
Rot. Bonds4

About N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide

N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide (PubChem CID 135520524) has the molecular formula C24H16ClF3N4O3 and a molecular weight of 500.86 g/mol. Its IUPAC name is N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide
PubChem CID135520524
Molecular FormulaC24H16ClF3N4O3
Molecular Weight500.86 g/mol
Exact Mass500.09
IUPAC NameN-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C24H16ClF3N4O3/c1-12-2-5-15(31-21(33)14-3-6-18(25)17(9-14)24(26,27)28)10-20(12)32-22(34)13-4-7-19-16(8-13)23(35)30-11-29-19/h2-11H,1H3,(H,31,33)(H,32,34)(H,29,30,35)
InChIKeyYYOGNGPIJDJXOR-UHFFFAOYSA-N
XLogP5.41
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
CID 141277541
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)-2,1-benzoxazole-5-carboxamide
CID 46350545
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]benzamide
CID 143951840
N'-(3H-benzimidazol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515847
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzamide
CID 67494150
3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 166202439
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
N-(5-acetamido-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764048

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide?
The IUPAC name of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide (CID 135520524) is N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide.
What is the SMILES notation for N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide?
The canonical SMILES for N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide is Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide?
The InChIKey is YYOGNGPIJDJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O3/c1-12-2-5-15(31-21(33)14-3-6-18(25)17(9-14)24(26,27)28)10-20(12)32-22(34)13-4-7-19-16(8-13)23(35)30-11-29-19/h2-11H,1H3,(H,31,33)(H,32,34)(H,29,30,35).
What are the key properties of N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide?
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide has a molecular weight of 500.86 g/mol, XLogP of 5.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide is sourced from PubChem (CID 135520524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).