9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

C20H23ClN2O — CID 20873711

IUPAC9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)C1CCCCC1
InChIInChI=1S/C20H23ClN2O/c1-23(14-6-3-2-4-7-14)20(24)13-10-11-16-18(12-13)22-17-9-5-8-15(17)19(16)21/h10-12,14H,2-9H2,1H3
InChIKeyPBQPPXKQNKBMJT-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.78
Rot. Bonds2

About 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 20873711) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID20873711
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)C1CCCCC1
InChIInChI=1S/C20H23ClN2O/c1-23(14-6-3-2-4-7-14)20(24)13-10-11-16-18(12-13)22-17-9-5-8-15(17)19(16)21/h10-12,14H,2-9H2,1H3
InChIKeyPBQPPXKQNKBMJT-UHFFFAOYSA-N
XLogP4.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 20873711) is 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is CN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)C1CCCCC1.
What is the InChIKey of 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is PBQPPXKQNKBMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-23(14-6-3-2-4-7-14)20(24)13-10-11-16-18(12-13)22-17-9-5-8-15(17)19(16)21/h10-12,14H,2-9H2,1H3.
What are the key properties of 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 20873711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).