1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol

C32H29F2N3O2 — CID 58857471

IUPAC1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol
SMILESCOc1nc2c(C(O)(CCN(C)C)c3cc(F)cc(F)c3)cc(-c3cccnc3)cc2cc1-c1ccccc1
InChIInChI=1S/C32H29F2N3O2/c1-37(2)13-11-32(38,25-17-26(33)19-27(34)18-25)29-16-23(22-10-7-12-35-20-22)14-24-15-28(21-8-5-4-6-9-21)31(39-3)36-30(24)29/h4-10,12,14-20,38H,11,13H2,1-3H3
InChIKeyVUKMYNQBIOTHPH-UHFFFAOYSA-N
MW525.60 g/mol
LogP6.44
Rot. Bonds8

About 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol

1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol (PubChem CID 58857471) has the molecular formula C32H29F2N3O2 and a molecular weight of 525.60 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol
PubChem CID58857471
Molecular FormulaC32H29F2N3O2
Molecular Weight525.60 g/mol
Exact Mass525.22
IUPAC Name1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol
SMILESCOc1nc2c(C(O)(CCN(C)C)c3cc(F)cc(F)c3)cc(-c3cccnc3)cc2cc1-c1ccccc1
InChIInChI=1S/C32H29F2N3O2/c1-37(2)13-11-32(38,25-17-26(33)19-27(34)18-25)29-16-23(22-10-7-12-35-20-22)14-24-15-28(21-8-5-4-6-9-21)31(39-3)36-30(24)29/h4-10,12,14-20,38H,11,13H2,1-3H3
InChIKeyVUKMYNQBIOTHPH-UHFFFAOYSA-N
XLogP6.44
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 665532
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
CID 144997558
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2-(6-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131870368
3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
CID 170215966
3-(3,5-diphenylphenyl)pyridine
CID 141411458
3-fluoro-5-pyridin-3-ylbenzonitrile
CID 46315568
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol
CID 118671848
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol (CID 58857471) is 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol is COc1nc2c(C(O)(CCN(C)C)c3cc(F)cc(F)c3)cc(-c3cccnc3)cc2cc1-c1ccccc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol?
The InChIKey is VUKMYNQBIOTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N3O2/c1-37(2)13-11-32(38,25-17-26(33)19-27(34)18-25)29-16-23(22-10-7-12-35-20-22)14-24-15-28(21-8-5-4-6-9-21)31(39-3)36-30(24)29/h4-10,12,14-20,38H,11,13H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol?
1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol has a molecular weight of 525.60 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(dimethylamino)-1-(2-methoxy-3-phenyl-6-pyridin-3-ylquinolin-8-yl)propan-1-ol is sourced from PubChem (CID 58857471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).