1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol

C35H40N2O2 — CID 24988089

IUPAC1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol
SMILESC=Cc1ccc2nc(OC)c(C(c3ccccc3)C(O)(CCCCN3CCCCC3)c3ccccc3)cc2c1
InChIInChI=1S/C35H40N2O2/c1-3-27-19-20-32-29(25-27)26-31(34(36-32)39-2)33(28-15-7-4-8-16-28)35(38,30-17-9-5-10-18-30)21-11-14-24-37-22-12-6-13-23-37/h3-5,7-10,15-20,25-26,33,38H,1,6,11-14,21-24H2,2H3
InChIKeyMPQWCMBDWHYVQJ-UHFFFAOYSA-N
MW520.72 g/mol
LogP7.56
Rot. Bonds11

About 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol

1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol (PubChem CID 24988089) has the molecular formula C35H40N2O2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol.

Molecular Properties

Compound Name1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol
PubChem CID24988089
Molecular FormulaC35H40N2O2
Molecular Weight520.72 g/mol
Exact Mass520.31
IUPAC Name1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol
SMILESC=Cc1ccc2nc(OC)c(C(c3ccccc3)C(O)(CCCCN3CCCCC3)c3ccccc3)cc2c1
InChIInChI=1S/C35H40N2O2/c1-3-27-19-20-32-29(25-27)26-31(34(36-32)39-2)33(28-15-7-4-8-16-28)35(38,30-17-9-5-10-18-30)21-11-14-24-37-22-12-6-13-23-37/h3-5,7-10,15-20,25-26,33,38H,1,6,11-14,21-24H2,2H3
InChIKeyMPQWCMBDWHYVQJ-UHFFFAOYSA-N
XLogP7.56
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(6-bromo-2-methoxyquinolin-3-yl)-1-(3,4-dichlorophenyl)-2-phenyl-6-piperidin-1-ylhexan-2-ol
CID 15947496
3-[(R)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-7-(4-methylpiperazin-1-yl)-1-phenylheptan-3-ol
CID 118195579
1-(6-bromo-2-methoxyquinolin-3-yl)-3-methylsulfanyl-1,2-diphenylpropan-2-ol
CID 143687575
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(4-iodophenyl)-1-phenylbutan-2-ol
CID 151186743
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
CID 144997558
1-(3-bromophenyl)-6-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
CID 15947494
(3S,4R)-4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutanal
CID 176915260
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
1-(7-bromo-2-methoxy-7H-cyclohepta[b]pyridin-3-yl)-4-(dimethylamino)-1,2-diphenylbutan-2-ol
CID 142854962
(2S,3S)-3-(4-methoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhex-5-en-3-ol
CID 92720780
(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-(2-chloro-6-methoxythieno[2,3-b]pyridin-5-yl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
CID 141430733

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol?
The IUPAC name of 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol (CID 24988089) is 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol.
What is the SMILES notation for 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol?
The canonical SMILES for 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol is C=Cc1ccc2nc(OC)c(C(c3ccccc3)C(O)(CCCCN3CCCCC3)c3ccccc3)cc2c1.
What is the InChIKey of 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol?
The InChIKey is MPQWCMBDWHYVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O2/c1-3-27-19-20-32-29(25-27)26-31(34(36-32)39-2)33(28-15-7-4-8-16-28)35(38,30-17-9-5-10-18-30)21-11-14-24-37-22-12-6-13-23-37/h3-5,7-10,15-20,25-26,33,38H,1,6,11-14,21-24H2,2H3.
What are the key properties of 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol?
1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol has a molecular weight of 520.72 g/mol, XLogP of 7.56, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-piperidin-1-ylhexan-2-ol is sourced from PubChem (CID 24988089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).