N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C27H21F3N6O2 — CID 46229583

IUPACN-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1
InChIInChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35)
InChIKeyOYMMUIOAGAZCAO-UHFFFAOYSA-N
MW518.50 g/mol
LogP5.65
Rot. Bonds5

About N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 46229583) has the molecular formula C27H21F3N6O2 and a molecular weight of 518.50 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID46229583
Molecular FormulaC27H21F3N6O2
Molecular Weight518.50 g/mol
Exact Mass518.17
IUPAC NameN-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1
InChIInChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35)
InChIKeyOYMMUIOAGAZCAO-UHFFFAOYSA-N
XLogP5.65
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.50
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide 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-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
CID 174524895
[3-[[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174524883
3-(2-cyanopropan-2-yl)-5-[(dimethylamino)methyl]-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
CID 11598660
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
CID 175986864
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
3-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 166273309
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70687994
N-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 16747334
N-[3-[(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 25072391
N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
CID 112834104
1-(4-fluorophenyl)-N-[4-methyl-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-5-methylsulfanylpyrazole-3-carboxamide
CID 166467990
N-[3-[[4-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 146621843

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 46229583) is N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is Cc1ccc(NC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1Nc1ccc2ncn(C)c(=O)c2c1.
What is the InChIKey of N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is OYMMUIOAGAZCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N6O2/c1-15-8-9-18(13-21(15)32-17-10-11-20-19(12-17)25(38)36(2)14-31-20)33-24(37)23-22(16-6-4-3-5-7-16)34-26(35-23)27(28,29)30/h3-14,32H,1-2H3,(H,33,37)(H,34,35).
What are the key properties of N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 5.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 46229583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).