5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid

C26H25NO3S — CID 126750962

IUPAC5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)c3c(OC4CCCCC4)ccc(C)c3n2)sc2ccccc12
InChIInChI=1S/C26H25NO3S/c1-15-12-13-21(30-17-8-4-3-5-9-17)23-19(26(28)29)14-20(27-24(15)23)25-16(2)18-10-6-7-11-22(18)31-25/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,28,29)
InChIKeyJVUVDWQHXDZXTD-UHFFFAOYSA-N
MW431.56 g/mol
LogP7.14
Rot. Bonds4

About 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid

5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid (PubChem CID 126750962) has the molecular formula C26H25NO3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid
PubChem CID126750962
Molecular FormulaC26H25NO3S
Molecular Weight431.56 g/mol
Exact Mass431.16
IUPAC Name5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)c3c(OC4CCCCC4)ccc(C)c3n2)sc2ccccc12
InChIInChI=1S/C26H25NO3S/c1-15-12-13-21(30-17-8-4-3-5-9-17)23-19(26(28)29)14-20(27-24(15)23)25-16(2)18-10-6-7-11-22(18)31-25/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,28,29)
InChIKeyJVUVDWQHXDZXTD-UHFFFAOYSA-N
XLogP7.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-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

3-[2-Methyl-5-(2-phenylmethoxy-5-thiophen-3-ylphenyl)pyrrol-1-yl]benzoic acid
CID 44413120
7-Methoxythieno[2,3-b]quinoline-2-carboxylic acid
CID 778245
4-(7-Methoxyfuro[2,3-b]quinolin-4-yl)sulfanylbenzoic acid
CID 44448842
5-[[4-(Difluoromethoxy)-4-methylcyclohexyl]methoxy]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid
CID 129027630
2-[(Z)-but-2-en-2-yl]-8-methyl-5-(2,2,6,6-tetramethyloxan-4-yl)oxyquinoline-4-carboxylic acid
CID 129027629
2-(1-Benzothiophen-3-yl)-5-[2-[2-[2-(1-benzothiophen-3-yl)-5-[[2-[2-[2-(1-benzothiophen-3-yl)-6-tert-butyl-4-carboxyquinolin-8-yl]ethyl]cyclohexyl]amino]-4-carboxyquinolin-8-yl]ethyl]cyclohexyl]oxy-8-ethylquinoline-4-carboxylic acid
CID 129027669
8-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(1S)-1-[4-(oxetan-3-yl)phenyl]ethoxy]quinoline-4-carboxylic acid
CID 129027724
8-Methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(3-methylphenyl)methoxy]quinoline-4-carboxylic acid
CID 129027767
8-Methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-[(2-methylphenyl)methoxy]quinoline-4-carboxylic acid
CID 129027768
5-(Difluoromethoxy)-8-methyl-2-(2-methyl-1-benzofuran-3-yl)quinoline-4-carboxylic acid
CID 126750948
5-(2,2-Difluoroethoxy)-8-methyl-2-(2-methyl-1-benzofuran-3-yl)quinoline-4-carboxylic acid
CID 126750965
5-[(4-Fluorophenyl)methoxy]-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid
CID 126750968

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid (CID 126750962) is 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid is Cc1c(-c2cc(C(=O)O)c3c(OC4CCCCC4)ccc(C)c3n2)sc2ccccc12.
What is the InChIKey of 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is JVUVDWQHXDZXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3S/c1-15-12-13-21(30-17-8-4-3-5-9-17)23-19(26(28)29)14-20(27-24(15)23)25-16(2)18-10-6-7-11-22(18)31-25/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,28,29).
What are the key properties of 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid?
5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 431.56 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-8-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 126750962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).