9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

C16H17ClN2O2 — CID 20873719

IUPAC9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C16H17ClN2O2/c1-21-8-7-18-16(20)10-5-6-12-14(9-10)19-13-4-2-3-11(13)15(12)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyJMWZVBBXLSPCJV-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.75
Rot. Bonds4

About 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 20873719) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID20873719
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C16H17ClN2O2/c1-21-8-7-18-16(20)10-5-6-12-14(9-10)19-13-4-2-3-11(13)15(12)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyJMWZVBBXLSPCJV-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 20873719) is 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is COCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3.
What is the InChIKey of 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is JMWZVBBXLSPCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-8-7-18-16(20)10-5-6-12-14(9-10)19-13-4-2-3-11(13)15(12)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 20873719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).