methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate

C17H16ClNO2 — CID 67961149

IUPACmethyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(C3=CCCCC3)c2c1
InChIInChI=1S/C17H16ClNO2/c1-21-17(20)12-7-8-15-13(9-12)16(14(18)10-19-15)11-5-3-2-4-6-11/h5,7-10H,2-4,6H2,1H3
InChIKeyKLQHSFOLTBLOTB-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.63
Rot. Bonds2

About methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate

methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate (PubChem CID 67961149) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
PubChem CID67961149
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Namemethyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(C3=CCCCC3)c2c1
InChIInChI=1S/C17H16ClNO2/c1-21-17(20)12-7-8-15-13(9-12)16(14(18)10-19-15)11-5-3-2-4-6-11/h5,7-10H,2-4,6H2,1H3
InChIKeyKLQHSFOLTBLOTB-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate 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 methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate (CID 67961149) is methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate is COC(=O)c1ccc2ncc(Cl)c(C3=CCCCC3)c2c1.
What is the InChIKey of methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate?
The InChIKey is KLQHSFOLTBLOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-17(20)12-7-8-15-13(9-12)16(14(18)10-19-15)11-5-3-2-4-6-11/h5,7-10H,2-4,6H2,1H3.
What are the key properties of methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate?
methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate has a molecular weight of 301.77 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate is sourced from PubChem (CID 67961149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).