7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid

C25H25NO4 — CID 58064618

IUPAC7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
SMILESCOC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)O)ccnc4c3)cc2)CC1
InChIInChI=1S/C25H25NO4/c1-30-24(27)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-11-21-22(25(28)29)12-13-26-23(21)15-20/h6-13,15-17H,2-5,14H2,1H3,(H,28,29)
InChIKeySQHAAPOWCOLPLB-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.44
Rot. Bonds5

About 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid

7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid (PubChem CID 58064618) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
PubChem CID58064618
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid
SMILESCOC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)O)ccnc4c3)cc2)CC1
InChIInChI=1S/C25H25NO4/c1-30-24(27)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-11-21-22(25(28)29)12-13-26-23(21)15-20/h6-13,15-17H,2-5,14H2,1H3,(H,28,29)
InChIKeySQHAAPOWCOLPLB-UHFFFAOYSA-N
XLogP5.44
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]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

Cinchophen
CID 8593
Brequinar
CID 57030
4-Quinolinecarboxylic acid
CID 10243
Tetrophan
CID 120171
4-(8-(3-Nitrophenyl)-(1,7)naphthyridin-6-yl)benzoic acid
CID 9999276
Brequinar Analog
CID 1543
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
8-Quinolinecarboxylic acid
CID 66582
Acridine-9-carboxylic acid
CID 94721
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253151

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid (CID 58064618) is 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid is COC(=O)CC1CCC(c2ccc(-c3ccc4c(C(=O)O)ccnc4c3)cc2)CC1.
What is the InChIKey of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
The InChIKey is SQHAAPOWCOLPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-30-24(27)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-11-21-22(25(28)29)12-13-26-23(21)15-20/h6-13,15-17H,2-5,14H2,1H3,(H,28,29).
What are the key properties of 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid?
7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid has a molecular weight of 403.48 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-methoxy-2-oxoethyl)cyclohexyl]phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 58064618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).