2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol

C24H28N2O — CID 90669681

IUPAC2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol
SMILESCc1cc(C(O)CN2CCCCCC2)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C24H28N2O/c1-18-15-20-11-12-22(19-9-5-4-6-10-19)25-24(20)21(16-18)23(27)17-26-13-7-2-3-8-14-26/h4-6,9-12,15-16,23,27H,2-3,7-8,13-14,17H2,1H3
InChIKeyCFVQCRSMFFENPA-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.12
Rot. Bonds4

About 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol

2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol (PubChem CID 90669681) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol
PubChem CID90669681
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol
SMILESCc1cc(C(O)CN2CCCCCC2)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C24H28N2O/c1-18-15-20-11-12-22(19-9-5-4-6-10-19)25-24(20)21(16-18)23(27)17-26-13-7-2-3-8-14-26/h4-6,9-12,15-16,23,27H,2-3,7-8,13-14,17H2,1H3
InChIKeyCFVQCRSMFFENPA-UHFFFAOYSA-N
XLogP5.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol with MolForge

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Related Compounds

Suronacrine
CID 60601
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-(methylamino)-
CID 3025632
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290
1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
9-(Propylimino)-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025633
Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
Acridine,3-amino-4-hydroxymethyl
CID 10443606
1-[2-(4-Chlorophenyl)-6,8-dimethylquinolin-4-yl]-2-(dihexylamino)ethanol
CID 4162665
1-[7-Chloro-2-(4-chlorophenyl)-4-quinolinyl]-2-(dibutylamino)ethanol hydrochloride
CID 24185504
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(dipropylamino)ethanol
CID 432292

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol?
The IUPAC name of 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol (CID 90669681) is 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol.
What is the SMILES notation for 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol?
The canonical SMILES for 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol is Cc1cc(C(O)CN2CCCCCC2)c2nc(-c3ccccc3)ccc2c1.
What is the InChIKey of 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol?
The InChIKey is CFVQCRSMFFENPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18-15-20-11-12-22(19-9-5-4-6-10-19)25-24(20)21(16-18)23(27)17-26-13-7-2-3-8-14-26/h4-6,9-12,15-16,23,27H,2-3,7-8,13-14,17H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol?
2-(azepan-1-yl)-1-(6-methyl-2-phenylquinolin-8-yl)ethanol has a molecular weight of 360.50 g/mol, XLogP of 5.12, 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-(6-methyl-2-phenylquinolin-8-yl)ethanol is sourced from PubChem (CID 90669681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).