N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide

C16H22N2O — CID 659201

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C16H22N2O/c1-10(2)16(19)18-15-11-6-3-4-8-13(11)17-14-9-5-7-12(14)15/h10H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyIVXAOIULAWZCPH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.04
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide (PubChem CID 659201) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide
PubChem CID659201
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C16H22N2O/c1-10(2)16(19)18-15-11-6-3-4-8-13(11)17-14-9-5-7-12(14)15/h10H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyIVXAOIULAWZCPH-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide (CID 659201) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide?
The InChIKey is IVXAOIULAWZCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)16(19)18-15-11-6-3-4-8-13(11)17-14-9-5-7-12(14)15/h10H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylpropanamide is sourced from PubChem (CID 659201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).