cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol

C16H19NO2 — CID 67826676

IUPACcis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
SMILESCO[C@H]1CCCC[C@@]1(O)c1cnc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-19-15-8-4-5-9-16(15,18)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3/t15-,16+/m0/s1
InChIKeyUJHZDHOMMGVBGB-JKSUJKDBSA-N
MW257.33 g/mol
LogP3.01
Rot. Bonds2

About cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol

cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol (PubChem CID 67826676) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
PubChem CID67826676
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namecis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
SMILESCO[C@H]1CCCC[C@@]1(O)c1cnc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-19-15-8-4-5-9-16(15,18)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3/t15-,16+/m0/s1
InChIKeyUJHZDHOMMGVBGB-JKSUJKDBSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol 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 cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol (CID 67826676) is cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol is CO[C@H]1CCCC[C@@]1(O)c1cnc2ccccc2c1.
What is the InChIKey of cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol?
The InChIKey is UJHZDHOMMGVBGB-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-15-8-4-5-9-16(15,18)13-10-12-6-2-3-7-14(12)17-11-13/h2-3,6-7,10-11,15,18H,4-5,8-9H2,1H3/t15-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol?
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol has a molecular weight of 257.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 67826676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).