ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate

C17H19ClN2O2 — CID 141107459

IUPACethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NC2CCCC2)nc2ccccc2c1Cl
InChIInChI=1S/C17H19ClN2O2/c1-2-22-17(21)14-15(18)12-9-5-6-10-13(12)20-16(14)19-11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySSEGUQCPNPIBNL-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.42
Rot. Bonds4

About ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate

ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate (PubChem CID 141107459) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
PubChem CID141107459
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NC2CCCC2)nc2ccccc2c1Cl
InChIInChI=1S/C17H19ClN2O2/c1-2-22-17(21)14-15(18)12-9-5-6-10-13(12)20-16(14)19-11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySSEGUQCPNPIBNL-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-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

diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate
CID 53359332
ethyl 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethylpyrimidine-5-carboxylate
CID 70260274
ethyl 2-anilino-6-bromo-4-chloroquinoline-3-carboxylate
CID 58180803
ethyl 4-(cyclobutylamino)cinnoline-3-carboxylate
CID 64624194
ethyl 3-amino-4-(cyclohexylamino)thieno[2,3-b]quinoline-2-carboxylate
CID 15514651
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
ethyl 2-anilino-6-bromo-4-chloroquinoline-3-carboxylate;ethyl 6-bromo-2,4-dichloroquinoline-3-carboxylate
CID 161068399
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
CID 122047294
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate (CID 141107459) is ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate is CCOC(=O)c1c(NC2CCCC2)nc2ccccc2c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate?
The InChIKey is SSEGUQCPNPIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-17(21)14-15(18)12-9-5-6-10-13(12)20-16(14)19-11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate?
ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate has a molecular weight of 318.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate is sourced from PubChem (CID 141107459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).