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

C25H28ClN3O — CID 20873734

IUPACN-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCN(CCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)Cc1ccccc1
InChIInChI=1S/C25H28ClN3O/c1-2-29(17-18-8-4-3-5-9-18)15-7-14-27-25(30)19-12-13-21-23(16-19)28-22-11-6-10-20(22)24(21)26/h3-5,8-9,12-13,16H,2,6-7,10-11,14-15,17H2,1H3,(H,27,30)
InChIKeyNKSWIJLKDFNFGH-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.02
Rot. Bonds8

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

N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 20873734) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID20873734
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCN(CCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)Cc1ccccc1
InChIInChI=1S/C25H28ClN3O/c1-2-29(17-18-8-4-3-5-9-18)15-7-14-27-25(30)19-12-13-21-23(16-19)28-22-11-6-10-20(22)24(21)26/h3-5,8-9,12-13,16H,2,6-7,10-11,14-15,17H2,1H3,(H,27,30)
InChIKeyNKSWIJLKDFNFGH-UHFFFAOYSA-N
XLogP5.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.02
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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Related Compounds

9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
CID 3087110
9-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866048
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
CID 20866032
9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866087
9-chloro-N-(3-chlorophenyl)-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257970
9-chloro-N-methyl-N-(2-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257975
9-chloro-N-(3-chlorophenyl)-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257973
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
N-[3-(diethylamino)propyl]-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22550935
9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256284
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 20873734) is N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is CCN(CCCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is NKSWIJLKDFNFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-2-29(17-18-8-4-3-5-9-18)15-7-14-27-25(30)19-12-13-21-23(16-19)28-22-11-6-10-20(22)24(21)26/h3-5,8-9,12-13,16H,2,6-7,10-11,14-15,17H2,1H3,(H,27,30).
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 421.97 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 20873734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).