(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C32H26Cl2N4OS — CID 23577763

IUPAC(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(CNCc3cccs3)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C32H26Cl2N4OS/c1-38-20-36-19-31(38)32(39,22-7-10-24(33)11-8-22)23-9-12-30-29(15-23)28(21-4-2-5-25(34)14-21)16-26(37-30)17-35-18-27-6-3-13-40-27/h2-16,19-20,35,39H,17-18H2,1H3
InChIKeyBEIDOZGDKVBQBL-UHFFFAOYSA-N
MW585.56 g/mol
LogP7.58
Rot. Bonds8

About (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 23577763) has the molecular formula C32H26Cl2N4OS and a molecular weight of 585.56 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID23577763
Molecular FormulaC32H26Cl2N4OS
Molecular Weight585.56 g/mol
Exact Mass584.12
IUPAC Name(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(CNCc3cccs3)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C32H26Cl2N4OS/c1-38-20-36-19-31(38)32(39,22-7-10-24(33)11-8-22)23-9-12-30-29(15-23)28(21-4-2-5-25(34)14-21)16-26(37-30)17-35-18-27-6-3-13-40-27/h2-16,19-20,35,39H,17-18H2,1H3
InChIKeyBEIDOZGDKVBQBL-UHFFFAOYSA-N
XLogP7.58
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.56
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
CID 74222221
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-quinolin-4-ylmethanol
CID 117869728
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 9892477
(3-Benzyl-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221196
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-3-ylmethanol
CID 74222048
(4-Chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
CID 74222808
(2,4-Dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
CID 74222810
(4-Chlorophenyl)(1-methyl-1H-imidazol-5-yl)(3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl)methanol
CID 86716130
(4-Chlorophenyl)(2,4-dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 90100965
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 90101666
(4-Chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 91669190
4-Chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile
CID 117868722

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 23577763) is (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(CNCc3cccs3)cc(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is BEIDOZGDKVBQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N4OS/c1-38-20-36-19-31(38)32(39,22-7-10-24(33)11-8-22)23-9-12-30-29(15-23)28(21-4-2-5-25(34)14-21)16-26(37-30)17-35-18-27-6-3-13-40-27/h2-16,19-20,35,39H,17-18H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 585.56 g/mol, XLogP of 7.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(thiophen-2-ylmethylamino)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 23577763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).