methyl 5,8-dicyclohexylquinoline-2-carboxylate

C23H29NO2 — CID 15956249

IUPACmethyl 5,8-dicyclohexylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)ccc(C3CCCCC3)c2n1
InChIInChI=1S/C23H29NO2/c1-26-23(25)21-15-14-20-18(16-8-4-2-5-9-16)12-13-19(22(20)24-21)17-10-6-3-7-11-17/h12-17H,2-11H2,1H3
InChIKeyNTCLTGWEDYYRGV-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.12
Rot. Bonds3

About methyl 5,8-dicyclohexylquinoline-2-carboxylate

methyl 5,8-dicyclohexylquinoline-2-carboxylate (PubChem CID 15956249) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is methyl 5,8-dicyclohexylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,8-dicyclohexylquinoline-2-carboxylate
PubChem CID15956249
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Namemethyl 5,8-dicyclohexylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)ccc(C3CCCCC3)c2n1
InChIInChI=1S/C23H29NO2/c1-26-23(25)21-15-14-20-18(16-8-4-2-5-9-16)12-13-19(22(20)24-21)17-10-6-3-7-11-17/h12-17H,2-11H2,1H3
InChIKeyNTCLTGWEDYYRGV-UHFFFAOYSA-N
XLogP6.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5,8-dicyclohexylquinoline-2-carboxylate 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

Neocinchophen
CID 68089
Tetrophan
CID 120171
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606
2-(4-Cyclohexylphenyl)quinoline-4-carboxylic acid
CID 1830299
2-(Naphthalen-2-yl)quinoline-4-carboxylic acid
CID 680333
2-(2,4-Dimethylphenyl)quinoline-4-carboxylic acid
CID 230602
2-(4-Isopropylphenyl)quinoline-4-carboxylic acid
CID 623973
9-Acridinecarboxylic acid, methyl ester
CID 21211
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364

Frequently Asked Questions

What is the IUPAC name of methyl 5,8-dicyclohexylquinoline-2-carboxylate?
The IUPAC name of methyl 5,8-dicyclohexylquinoline-2-carboxylate (CID 15956249) is methyl 5,8-dicyclohexylquinoline-2-carboxylate.
What is the SMILES notation for methyl 5,8-dicyclohexylquinoline-2-carboxylate?
The canonical SMILES for methyl 5,8-dicyclohexylquinoline-2-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)ccc(C3CCCCC3)c2n1.
What is the InChIKey of methyl 5,8-dicyclohexylquinoline-2-carboxylate?
The InChIKey is NTCLTGWEDYYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-26-23(25)21-15-14-20-18(16-8-4-2-5-9-16)12-13-19(22(20)24-21)17-10-6-3-7-11-17/h12-17H,2-11H2,1H3.
What are the key properties of methyl 5,8-dicyclohexylquinoline-2-carboxylate?
methyl 5,8-dicyclohexylquinoline-2-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,8-dicyclohexylquinoline-2-carboxylate is sourced from PubChem (CID 15956249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).