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

C18H21ClN2O — CID 20873747

IUPAC9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C18H21ClN2O/c1-11(2)8-9-20-18(22)12-6-7-14-16(10-12)21-15-5-3-4-13(15)17(14)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyDJDSAOCYFZVIHY-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.15
Rot. Bonds4

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

9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 20873747) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID20873747
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C18H21ClN2O/c1-11(2)8-9-20-18(22)12-6-7-14-16(10-12)21-15-5-3-4-13(15)17(14)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyDJDSAOCYFZVIHY-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 20873747) is 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is CC(C)CCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3.
What is the InChIKey of 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is DJDSAOCYFZVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-11(2)8-9-20-18(22)12-6-7-14-16(10-12)21-15-5-3-4-13(15)17(14)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 316.83 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(3-methylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 20873747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).