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

C18H22N2O — CID 82753365

IUPAC[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol
SMILESOCc1cc(N2CCC3CCCCC32)c2ccccc2n1
InChIInChI=1S/C18H22N2O/c21-12-14-11-18(15-6-2-3-7-16(15)19-14)20-10-9-13-5-1-4-8-17(13)20/h2-3,6-7,11,13,17,21H,1,4-5,8-10,12H2
InChIKeyMUVCCRWLTYJVDH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds2

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

[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol (PubChem CID 82753365) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol
PubChem CID82753365
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol
SMILESOCc1cc(N2CCC3CCCCC32)c2ccccc2n1
InChIInChI=1S/C18H22N2O/c21-12-14-11-18(15-6-2-3-7-16(15)19-14)20-10-9-13-5-1-4-8-17(13)20/h2-3,6-7,11,13,17,21H,1,4-5,8-10,12H2
InChIKeyMUVCCRWLTYJVDH-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

Analyze [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol?
The IUPAC name of [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol (CID 82753365) is [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol.
What is the SMILES notation for [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol?
The canonical SMILES for [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol is OCc1cc(N2CCC3CCCCC32)c2ccccc2n1.
What is the InChIKey of [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol?
The InChIKey is MUVCCRWLTYJVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-12-14-11-18(15-6-2-3-7-16(15)19-14)20-10-9-13-5-1-4-8-17(13)20/h2-3,6-7,11,13,17,21H,1,4-5,8-10,12H2.
What are the key properties of [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol?
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-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 [4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)quinolin-2-yl]methanol is sourced from PubChem (CID 82753365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).