4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol

C16H20N2O — CID 81216154

IUPAC4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
SMILESCc1ccc2cc(C3(O)CCC(N)CC3)ccc2n1
InChIInChI=1S/C16H20N2O/c1-11-2-3-12-10-13(4-5-15(12)18-11)16(19)8-6-14(17)7-9-16/h2-5,10,14,19H,6-9,17H2,1H3
InChIKeyZLMFIDHADPXGSV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds1

About 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol

4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol (PubChem CID 81216154) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
PubChem CID81216154
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
SMILESCc1ccc2cc(C3(O)CCC(N)CC3)ccc2n1
InChIInChI=1S/C16H20N2O/c1-11-2-3-12-10-13(4-5-15(12)18-11)16(19)8-6-14(17)7-9-16/h2-5,10,14,19H,6-9,17H2,1H3
InChIKeyZLMFIDHADPXGSV-UHFFFAOYSA-N
XLogP2.63
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-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 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol (CID 81216154) is 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol is Cc1ccc2cc(C3(O)CCC(N)CC3)ccc2n1.
What is the InChIKey of 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The InChIKey is ZLMFIDHADPXGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-2-3-12-10-13(4-5-15(12)18-11)16(19)8-6-14(17)7-9-16/h2-5,10,14,19H,6-9,17H2,1H3.
What are the key properties of 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol is sourced from PubChem (CID 81216154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).