1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol

C19H25NO — CID 81197781

IUPAC1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2ccc3nc(C)ccc3c2)CC1
InChIInChI=1S/C19H25NO/c1-3-4-15-9-11-19(21,12-10-15)17-7-8-18-16(13-17)6-5-14(2)20-18/h5-8,13,15,21H,3-4,9-12H2,1-2H3
InChIKeyBHBUNGUZELNXPI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.72
Rot. Bonds3

About 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol

1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol (PubChem CID 81197781) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol
PubChem CID81197781
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(c2ccc3nc(C)ccc3c2)CC1
InChIInChI=1S/C19H25NO/c1-3-4-15-9-11-19(21,12-10-15)17-7-8-18-16(13-17)6-5-14(2)20-18/h5-8,13,15,21H,3-4,9-12H2,1-2H3
InChIKeyBHBUNGUZELNXPI-UHFFFAOYSA-N
XLogP4.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol (CID 81197781) is 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(c2ccc3nc(C)ccc3c2)CC1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol?
The InChIKey is BHBUNGUZELNXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-15-9-11-19(21,12-10-15)17-7-8-18-16(13-17)6-5-14(2)20-18/h5-8,13,15,21H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol?
1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 81197781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).