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

C21H18Cl2N2O — CID 46257970

IUPAC9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1
InChIInChI=1S/C21H18Cl2N2O/c1-2-25(15-6-3-5-14(22)12-15)21(26)13-9-10-17-19(11-13)24-18-8-4-7-16(18)20(17)23/h3,5-6,9-12H,2,4,7-8H2,1H3
InChIKeyQIEOMDKMRRRWIJ-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.70
Rot. Bonds3

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

9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 46257970) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID46257970
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1
InChIInChI=1S/C21H18Cl2N2O/c1-2-25(15-6-3-5-14(22)12-15)21(26)13-9-10-17-19(11-13)24-18-8-4-7-16(18)20(17)23/h3,5-6,9-12H,2,4,7-8H2,1H3
InChIKeyQIEOMDKMRRRWIJ-UHFFFAOYSA-N
XLogP5.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 46257970) is 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1.
What is the InChIKey of 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is QIEOMDKMRRRWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c1-2-25(15-6-3-5-14(22)12-15)21(26)13-9-10-17-19(11-13)24-18-8-4-7-16(18)20(17)23/h3,5-6,9-12H,2,4,7-8H2,1H3.
What are the key properties of 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 46257970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).