(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol

C18H22N2O — CID 115997893

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol
SMILESCN1C2CCC1CC(C(O)c1ccc3cccnc3c1)C2
InChIInChI=1S/C18H22N2O/c1-20-15-6-7-16(20)10-14(9-15)18(21)13-5-4-12-3-2-8-19-17(12)11-13/h2-5,8,11,14-16,18,21H,6-7,9-10H2,1H3
InChIKeyAYRCUAMGBXERJD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol (PubChem CID 115997893) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol
PubChem CID115997893
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol
SMILESCN1C2CCC1CC(C(O)c1ccc3cccnc3c1)C2
InChIInChI=1S/C18H22N2O/c1-20-15-6-7-16(20)10-14(9-15)18(21)13-5-4-12-3-2-8-19-17(12)11-13/h2-5,8,11,14-16,18,21H,6-7,9-10H2,1H3
InChIKeyAYRCUAMGBXERJD-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol 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 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol (CID 115997893) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol is CN1C2CCC1CC(C(O)c1ccc3cccnc3c1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol?
The InChIKey is AYRCUAMGBXERJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20-15-6-7-16(20)10-14(9-15)18(21)13-5-4-12-3-2-8-19-17(12)11-13/h2-5,8,11,14-16,18,21H,6-7,9-10H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol has a molecular weight of 282.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol is sourced from PubChem (CID 115997893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).