2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid

C30H26N4O4 — CID 5275999

IUPAC2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESNC(=O)c1cc(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)ccc1O
InChIInChI=1S/C30H26N4O4/c31-28(36)22-15-18(9-13-27(22)35)24-10-6-17-14-19(7-11-23(17)32-24)29-33-25-16-20(30(37)38)8-12-26(25)34(29)21-4-2-1-3-5-21/h6-16,21,35H,1-5H2,(H2,31,36)(H,37,38)
InChIKeyUNVFVXJWZVIUDY-UHFFFAOYSA-N
MW506.56 g/mol
LogP5.93
Rot. Bonds5

About 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid

2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid (PubChem CID 5275999) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
PubChem CID5275999
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC Name2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESNC(=O)c1cc(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)ccc1O
InChIInChI=1S/C30H26N4O4/c31-28(36)22-15-18(9-13-27(22)35)24-10-6-17-14-19(7-11-23(17)32-24)29-33-25-16-20(30(37)38)8-12-26(25)34(29)21-4-2-1-3-5-21/h6-16,21,35H,1-5H2,(H2,31,36)(H,37,38)
InChIKeyUNVFVXJWZVIUDY-UHFFFAOYSA-N
XLogP5.93
TPSA131.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid (CID 5275999) is 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid is NC(=O)c1cc(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)ccc1O.
What is the InChIKey of 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The InChIKey is UNVFVXJWZVIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c31-28(36)22-15-18(9-13-27(22)35)24-10-6-17-14-19(7-11-23(17)32-24)29-33-25-16-20(30(37)38)8-12-26(25)34(29)21-4-2-1-3-5-21/h6-16,21,35H,1-5H2,(H2,31,36)(H,37,38).
What are the key properties of 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid has a molecular weight of 506.56 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-carbamoyl-4-hydroxyphenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 5275999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).