N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

C17H19ClN2O — CID 6622695

IUPACN-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C17H19ClN2O/c1-3-10(2)19-17(21)11-7-8-13-15(9-11)20-14-6-4-5-12(14)16(13)18/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyVCQLBEJOQJZCNI-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.91
Rot. Bonds3

About N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 6622695) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID6622695
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C17H19ClN2O/c1-3-10(2)19-17(21)11-7-8-13-15(9-11)20-14-6-4-5-12(14)16(13)18/h7-10H,3-6H2,1-2H3,(H,19,21)
InChIKeyVCQLBEJOQJZCNI-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 6622695) is N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is CCC(C)NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3.
What is the InChIKey of N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is VCQLBEJOQJZCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-10(2)19-17(21)11-7-8-13-15(9-11)20-14-6-4-5-12(14)16(13)18/h7-10H,3-6H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 6622695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).