7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid

C23H17F3N4O5 — CID 142013498

IUPAC7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid
SMILESCc1cc2[nH]c(=O)c(C(=O)O)cc2cc1-n1cnc(COC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O5/c1-12-6-18-13(7-15(21(32)33)20(31)28-18)8-19(12)30-9-14(27-11-30)10-35-22(34)29-17-5-3-2-4-16(17)23(24,25)26/h2-9,11H,10H2,1H3,(H,28,31)(H,29,34)(H,32,33)
InChIKeyPIMVPHZATIYZJX-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.49
Rot. Bonds5

About 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid

7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid (PubChem CID 142013498) has the molecular formula C23H17F3N4O5 and a molecular weight of 486.41 g/mol. Its IUPAC name is 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid
PubChem CID142013498
Molecular FormulaC23H17F3N4O5
Molecular Weight486.41 g/mol
Exact Mass486.12
IUPAC Name7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid
SMILESCc1cc2[nH]c(=O)c(C(=O)O)cc2cc1-n1cnc(COC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C23H17F3N4O5/c1-12-6-18-13(7-15(21(32)33)20(31)28-18)8-19(12)30-9-14(27-11-30)10-35-22(34)29-17-5-3-2-4-16(17)23(24,25)26/h2-9,11H,10H2,1H3,(H,28,31)(H,29,34)(H,32,33)
InChIKeyPIMVPHZATIYZJX-UHFFFAOYSA-N
XLogP4.49
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid 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

7-[4-[(4-carboxy-2-fluorophenyl)carbamoyloxymethyl]imidazol-1-yl]-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874581
ethyl 7-[4-[[4-(2-ethoxy-2-oxoethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 18369255
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423215
6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
CID 59874491
1-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 46356336
5-chloropentyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970739
2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
CID 61169225
5-hydroxy-6-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methoxycarbonylamino]thiophen-3-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434676
2-[4-methyl-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46366675
ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57168992
2-(2-chloroethoxy)ethyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970608
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid (CID 142013498) is 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid is Cc1cc2[nH]c(=O)c(C(=O)O)cc2cc1-n1cnc(COC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid?
The InChIKey is PIMVPHZATIYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O5/c1-12-6-18-13(7-15(21(32)33)20(31)28-18)8-19(12)30-9-14(27-11-30)10-35-22(34)29-17-5-3-2-4-16(17)23(24,25)26/h2-9,11H,10H2,1H3,(H,28,31)(H,29,34)(H,32,33).
What are the key properties of 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid?
7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid has a molecular weight of 486.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-oxo-6-[4-[[2-(trifluoromethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 142013498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).