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

C19H26N2O — CID 4097094

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide
SMILESO=C(Nc1c2c(nc3c1CCC3)CCCC2)C1CCCCC1
InChIInChI=1S/C19H26N2O/c22-19(13-7-2-1-3-8-13)21-18-14-9-4-5-11-16(14)20-17-12-6-10-15(17)18/h13H,1-12H2,(H,20,21,22)
InChIKeyNQKLMFQDQYOJSN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.97
Rot. Bonds2

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

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide (PubChem CID 4097094) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide
PubChem CID4097094
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide
SMILESO=C(Nc1c2c(nc3c1CCC3)CCCC2)C1CCCCC1
InChIInChI=1S/C19H26N2O/c22-19(13-7-2-1-3-8-13)21-18-14-9-4-5-11-16(14)20-17-12-6-10-15(17)18/h13H,1-12H2,(H,20,21,22)
InChIKeyNQKLMFQDQYOJSN-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.97
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)cyclohexanecarboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide (CID 4097094) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide is O=C(Nc1c2c(nc3c1CCC3)CCCC2)C1CCCCC1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide?
The InChIKey is NQKLMFQDQYOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(13-7-2-1-3-8-13)21-18-14-9-4-5-11-16(14)20-17-12-6-10-15(17)18/h13H,1-12H2,(H,20,21,22).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)cyclohexanecarboxamide has a molecular weight of 298.43 g/mol, XLogP of 3.97, 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)cyclohexanecarboxamide is sourced from PubChem (CID 4097094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).