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

C21H19ClN2O — CID 46257975

IUPAC9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C21H19ClN2O/c1-13-6-3-4-9-19(13)24(2)21(25)14-10-11-16-18(12-14)23-17-8-5-7-15(17)20(16)22/h3-4,6,9-12H,5,7-8H2,1-2H3
InChIKeyPOKNQRRPQAVECJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.96
Rot. Bonds2

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

9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 46257975) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID46257975
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C21H19ClN2O/c1-13-6-3-4-9-19(13)24(2)21(25)14-10-11-16-18(12-14)23-17-8-5-7-15(17)20(16)22/h3-4,6,9-12H,5,7-8H2,1-2H3
InChIKeyPOKNQRRPQAVECJ-UHFFFAOYSA-N
XLogP4.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 46257975) is 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is Cc1ccccc1N(C)C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3.
What is the InChIKey of 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is POKNQRRPQAVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-13-6-3-4-9-19(13)24(2)21(25)14-10-11-16-18(12-14)23-17-8-5-7-15(17)20(16)22/h3-4,6,9-12H,5,7-8H2,1-2H3.
What are the key properties of 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 46257975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).