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

C22H20Cl2N2O — CID 46257973

IUPAC9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1
InChIInChI=1S/C22H20Cl2N2O/c1-2-11-26(16-6-3-5-15(23)13-16)22(27)14-9-10-18-20(12-14)25-19-8-4-7-17(19)21(18)24/h3,5-6,9-10,12-13H,2,4,7-8,11H2,1H3
InChIKeyRHCDPAQKZKEFIW-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.09
Rot. Bonds4

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

9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 46257973) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID46257973
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1
InChIInChI=1S/C22H20Cl2N2O/c1-2-11-26(16-6-3-5-15(23)13-16)22(27)14-9-10-18-20(12-14)25-19-8-4-7-17(19)21(18)24/h3,5-6,9-10,12-13H,2,4,7-8,11H2,1H3
InChIKeyRHCDPAQKZKEFIW-UHFFFAOYSA-N
XLogP6.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.09
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-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 46257973) is 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is CCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)c1cccc(Cl)c1.
What is the InChIKey of 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is RHCDPAQKZKEFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-2-11-26(16-6-3-5-15(23)13-16)22(27)14-9-10-18-20(12-14)25-19-8-4-7-17(19)21(18)24/h3,5-6,9-10,12-13H,2,4,7-8,11H2,1H3.
What are the key properties of 9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 399.32 g/mol, XLogP of 6.09, 4 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-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 46257973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).