1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol

C34H35BrN2O2 — CID 15947494

IUPAC1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
SMILESCOc1nc2ccccc2cc1C(c1cccc(Br)c1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C34H35BrN2O2/c1-37(2)20-9-8-19-34(38,28-18-17-24-11-4-5-12-25(24)21-28)32(27-14-10-15-29(35)22-27)30-23-26-13-6-7-16-31(26)36-33(30)39-3/h4-7,10-18,21-23,32,38H,8-9,19-20H2,1-3H3
InChIKeyYNLAYKSKIAIWLF-UHFFFAOYSA-N
MW583.57 g/mol
LogP7.91
Rot. Bonds10

About 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol

1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol (PubChem CID 15947494) has the molecular formula C34H35BrN2O2 and a molecular weight of 583.57 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
PubChem CID15947494
Molecular FormulaC34H35BrN2O2
Molecular Weight583.57 g/mol
Exact Mass582.19
IUPAC Name1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
SMILESCOc1nc2ccccc2cc1C(c1cccc(Br)c1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C34H35BrN2O2/c1-37(2)20-9-8-19-34(38,28-18-17-24-11-4-5-12-25(24)21-28)32(27-14-10-15-29(35)22-27)30-23-26-13-6-7-16-31(26)36-33(30)39-3/h4-7,10-18,21-23,32,38H,8-9,19-20H2,1-3H3
InChIKeyYNLAYKSKIAIWLF-UHFFFAOYSA-N
XLogP7.91
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.57
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methoxyquinolin-3-yl)-6-(dimethylamino)-1-phenylhexan-2-ol
CID 59200523
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(4-iodophenyl)-1-phenylbutan-2-ol
CID 151186743
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
(2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 138110294
(3-bromophenyl)-[3-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-2-methoxyquinolin-6-yl]methanone
CID 59199486
5-ethoxy-6-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-N,N-dimethyl-5-naphthalen-2-yl-6-phenylhexan-1-amine
CID 143380686
CID 88964570
CID 88964570
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-4-(trimethylazaniumyl)butan-2-olate;hydroiodide
CID 15941140
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-[2-(dimethylamino)-6-methoxy-4-pyridinyl]butan-2-ol
CID 155552468
1-(6-bromo-2-methoxyquinolin-3-yl)-3-methylsulfanyl-1,2-diphenylpropan-2-ol
CID 143687575
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-diethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 130406759
1-(8-bromo-2-methoxyquinolin-3-yl)-2-(2,3-difluorophenyl)-4-(dimethylamino)-1-phenylbutan-2-ol
CID 67041285

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol (CID 15947494) is 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol is COc1nc2ccccc2cc1C(c1cccc(Br)c1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1.
What is the InChIKey of 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
The InChIKey is YNLAYKSKIAIWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BrN2O2/c1-37(2)20-9-8-19-34(38,28-18-17-24-11-4-5-12-25(24)21-28)32(27-14-10-15-29(35)22-27)30-23-26-13-6-7-16-31(26)36-33(30)39-3/h4-7,10-18,21-23,32,38H,8-9,19-20H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol has a molecular weight of 583.57 g/mol, XLogP of 7.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol is sourced from PubChem (CID 15947494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).