1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol

C31H27Cl2N3O — CID 23577696

IUPAC1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2n1
InChIInChI=1S/C31H27Cl2N3O/c1-20(37)17-35-19-27-16-28(22-4-2-6-26(33)14-22)29-15-23(9-12-30(29)36-27)31(24-5-3-13-34-18-24)21-7-10-25(32)11-8-21/h2-16,18,20,31,35,37H,17,19H2,1H3
InChIKeyXQHBRHXYBYFEFU-UHFFFAOYSA-N
MW528.48 g/mol
LogP7.25
Rot. Bonds8

About 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol

1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol (PubChem CID 23577696) has the molecular formula C31H27Cl2N3O and a molecular weight of 528.48 g/mol. Its IUPAC name is 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol
PubChem CID23577696
Molecular FormulaC31H27Cl2N3O
Molecular Weight528.48 g/mol
Exact Mass527.15
IUPAC Name1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2n1
InChIInChI=1S/C31H27Cl2N3O/c1-20(37)17-35-19-27-16-28(22-4-2-6-26(33)14-22)29-15-23(9-12-30(29)36-27)31(24-5-3-13-34-18-24)21-7-10-25(32)11-8-21/h2-16,18,20,31,35,37H,17,19H2,1H3
InChIKeyXQHBRHXYBYFEFU-UHFFFAOYSA-N
XLogP7.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.48
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 23577736
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-cyclopropylquinoline-2-carboxamide
CID 10119123
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)quinoline-2-carboxamide
CID 23577744
[2-[(2-benzylsulfanylethylamino)methyl]-4-(3-chlorophenyl)quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23577718
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
7-chloro-2-phenyl-4-pyridin-3-ylquinoline
CID 162750948
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
CID 22136492
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol (CID 23577696) is 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol is CC(O)CNCc1cc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2n1.
What is the InChIKey of 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol?
The InChIKey is XQHBRHXYBYFEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N3O/c1-20(37)17-35-19-27-16-28(22-4-2-6-26(33)14-22)29-15-23(9-12-30(29)36-27)31(24-5-3-13-34-18-24)21-7-10-25(32)11-8-21/h2-16,18,20,31,35,37H,17,19H2,1H3.
What are the key properties of 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol?
1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol has a molecular weight of 528.48 g/mol, XLogP of 7.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-pyridin-3-ylmethyl]quinolin-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 23577696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).