[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol

C18H22N2O — CID 65320137

IUPAC[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol
SMILESOCc1cc(N2CCCC3CCCC32)nc2ccccc12
InChIInChI=1S/C18H22N2O/c21-12-14-11-18(19-16-8-2-1-7-15(14)16)20-10-4-6-13-5-3-9-17(13)20/h1-2,7-8,11,13,17,21H,3-6,9-10,12H2
InChIKeyKGVSMKKHLCJVDV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds2

About [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol

[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol (PubChem CID 65320137) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol
PubChem CID65320137
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol
SMILESOCc1cc(N2CCCC3CCCC32)nc2ccccc12
InChIInChI=1S/C18H22N2O/c21-12-14-11-18(19-16-8-2-1-7-15(14)16)20-10-4-6-13-5-3-9-17(13)20/h1-2,7-8,11,13,17,21H,3-6,9-10,12H2
InChIKeyKGVSMKKHLCJVDV-UHFFFAOYSA-N
XLogP3.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol (CID 65320137) is [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol is OCc1cc(N2CCCC3CCCC32)nc2ccccc12.
What is the InChIKey of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol?
The InChIKey is KGVSMKKHLCJVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-12-14-11-18(19-16-8-2-1-7-15(14)16)20-10-4-6-13-5-3-9-17(13)20/h1-2,7-8,11,13,17,21H,3-6,9-10,12H2.
What are the key properties of [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol?
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol has a molecular weight of 282.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 65320137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).