2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol

C25H30N2O — CID 90669717

IUPAC2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol
SMILESCc1cc(-c2ccccc2)nc2c(C)cc(C(O)CN3CCCCCC3)cc12
InChIInChI=1S/C25H30N2O/c1-18-15-23(20-10-6-5-7-11-20)26-25-19(2)14-21(16-22(18)25)24(28)17-27-12-8-3-4-9-13-27/h5-7,10-11,14-16,24,28H,3-4,8-9,12-13,17H2,1-2H3
InChIKeyWLLKHSQMPJEGEC-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.43
Rot. Bonds4

About 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol

2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol (PubChem CID 90669717) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol
PubChem CID90669717
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol
SMILESCc1cc(-c2ccccc2)nc2c(C)cc(C(O)CN3CCCCCC3)cc12
InChIInChI=1S/C25H30N2O/c1-18-15-23(20-10-6-5-7-11-20)26-25-19(2)14-21(16-22(18)25)24(28)17-27-12-8-3-4-9-13-27/h5-7,10-11,14-16,24,28H,3-4,8-9,12-13,17H2,1-2H3
InChIKeyWLLKHSQMPJEGEC-UHFFFAOYSA-N
XLogP5.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mefloquine
CID 4046
(-)-Mefloquine
CID 40692
(+)-Mefloquine
CID 456309
Suronacrine
CID 60601
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methylphenyl)methyl)amino)-
CID 3025613
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methylphenyl)methyl)amino)-
CID 3025614
1-Acridinol, 1,2,3,4-tetrahydro-9-((2-(dimethylamino)ethyl)amino)-
CID 3025609
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methylphenyl)methyl)amino)-
CID 3025615
1-Acridinol, 1,2,3,4-tetrahydro-9-(methylamino)-
CID 3025632
6-Hydroxymethylquinoline
CID 1514385
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290
1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol?
The IUPAC name of 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol (CID 90669717) is 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol?
The canonical SMILES for 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol is Cc1cc(-c2ccccc2)nc2c(C)cc(C(O)CN3CCCCCC3)cc12.
What is the InChIKey of 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol?
The InChIKey is WLLKHSQMPJEGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-18-15-23(20-10-6-5-7-11-20)26-25-19(2)14-21(16-22(18)25)24(28)17-27-12-8-3-4-9-13-27/h5-7,10-11,14-16,24,28H,3-4,8-9,12-13,17H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol?
2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol has a molecular weight of 374.53 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(4,8-dimethyl-2-phenylquinolin-6-yl)ethanol is sourced from PubChem (CID 90669717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).