2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol

C16H20N2O — CID 63229228

IUPAC2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cc2ccccc2nc1NC1CCCCC1O
InChIInChI=1S/C16H20N2O/c1-11-10-12-6-2-3-7-13(12)17-16(11)18-14-8-4-5-9-15(14)19/h2-3,6-7,10,14-15,19H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyGNYXTCIFIZYZSO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds2

About 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol

2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol (PubChem CID 63229228) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
PubChem CID63229228
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cc2ccccc2nc1NC1CCCCC1O
InChIInChI=1S/C16H20N2O/c1-11-10-12-6-2-3-7-13(12)17-16(11)18-14-8-4-5-9-15(14)19/h2-3,6-7,10,14-15,19H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyGNYXTCIFIZYZSO-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol (CID 63229228) is 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol is Cc1cc2ccccc2nc1NC1CCCCC1O.
What is the InChIKey of 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is GNYXTCIFIZYZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-10-12-6-2-3-7-13(12)17-16(11)18-14-8-4-5-9-15(14)19/h2-3,6-7,10,14-15,19H,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol?
2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 63229228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).