N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C27H22F3N3O2 — CID 38531982

IUPACN-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C27H22F3N3O2/c1-17-31-24-5-3-2-4-23(24)26(35)33(17)22-12-8-19(9-13-22)25(34)32(21-14-15-21)16-18-6-10-20(11-7-18)27(28,29)30/h2-13,21H,14-16H2,1H3
InChIKeyQGMFXHPNZGADPY-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.52
Rot. Bonds5

About N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 38531982) has the molecular formula C27H22F3N3O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID38531982
Molecular FormulaC27H22F3N3O2
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C27H22F3N3O2/c1-17-31-24-5-3-2-4-23(24)26(35)33(17)22-12-8-19(9-13-22)25(34)32(21-14-15-21)16-18-6-10-20(11-7-18)27(28,29)30/h2-13,21H,14-16H2,1H3
InChIKeyQGMFXHPNZGADPY-UHFFFAOYSA-N
XLogP5.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86971546
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126769930
2-methyl-3-[4-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]quinazolin-4-one
CID 156587843
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 38532450
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 38531982) is N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is QGMFXHPNZGADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O2/c1-17-31-24-5-3-2-4-23(24)26(35)33(17)22-12-8-19(9-13-22)25(34)32(21-14-15-21)16-18-6-10-20(11-7-18)27(28,29)30/h2-13,21H,14-16H2,1H3.
What are the key properties of N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 477.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 38531982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).