2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide

C17H17ClN2O — CID 103842397

IUPAC2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C17H17ClN2O/c18-16-11-14(13-7-3-4-8-15(13)20-16)17(21)19-10-9-12-5-1-2-6-12/h3-5,7-8,11H,1-2,6,9-10H2,(H,19,21)
InChIKeyDEJRZPYRKASWTK-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide

2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide (PubChem CID 103842397) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
PubChem CID103842397
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C17H17ClN2O/c18-16-11-14(13-7-3-4-8-15(13)20-16)17(21)19-10-9-12-5-1-2-6-12/h3-5,7-8,11H,1-2,6,9-10H2,(H,19,21)
InChIKeyDEJRZPYRKASWTK-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide 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

2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide
CID 4182268
4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
CID 103843001
1-chloro-N-[2-(cyclopenten-1-yl)ethyl]isoquinoline-3-carboxamide
CID 106173624
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 995074
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1000937
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide (CID 103842397) is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide is O=C(NCCC1=CCCC1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is DEJRZPYRKASWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-16-11-14(13-7-3-4-8-15(13)20-16)17(21)19-10-9-12-5-1-2-6-12/h3-5,7-8,11H,1-2,6,9-10H2,(H,19,21).
What are the key properties of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide?
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 103842397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).