(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C31H28Cl2N4O — CID 58635553

IUPAC(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCN(C)C/C=C\c1cc(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n1
InChIInChI=1S/C31H28Cl2N4O/c1-36(2)15-5-8-26-18-27(21-6-4-7-25(33)16-21)28-17-23(11-14-29(28)35-26)31(38,30-19-34-20-37(30)3)22-9-12-24(32)13-10-22/h4-14,16-20,38H,15H2,1-3H3/b8-5-
InChIKeyHCWPZDVUHZEQQP-YVMONPNESA-N
MW543.50 g/mol
LogP6.80
Rot. Bonds7

About (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 58635553) has the molecular formula C31H28Cl2N4O and a molecular weight of 543.50 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID58635553
Molecular FormulaC31H28Cl2N4O
Molecular Weight543.50 g/mol
Exact Mass542.16
IUPAC Name(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
SMILESCN(C)C/C=C\c1cc(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n1
InChIInChI=1S/C31H28Cl2N4O/c1-36(2)15-5-8-26-18-27(21-6-4-7-25(33)16-21)28-17-23(11-14-29(28)35-26)31(38,30-19-34-20-37(30)3)22-9-12-24(32)13-10-22/h4-14,16-20,38H,15H2,1-3H3/b8-5-
InChIKeyHCWPZDVUHZEQQP-YVMONPNESA-N
XLogP6.80
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cp-609754
CID 46208720
9-(3-Chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 11038422
(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
4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-2-quinolin-8-yl-benzonitrile
CID 44459800
4-(3-Chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]isoquinoline
CID 45375872
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)isoquinoline
CID 45375873
4-(3-Chlorophenyl)-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 9891739
4-[[5-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 16724146
4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
CID 44357811
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74220546
(4-Chloro-2-methoxy-3-(4-(trifluoromethyl)benzyl)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 74221008

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 58635553) is (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is CN(C)C/C=C\c1cc(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is HCWPZDVUHZEQQP-YVMONPNESA-N. The full InChI is InChI=1S/C31H28Cl2N4O/c1-36(2)15-5-8-26-18-27(21-6-4-7-25(33)16-21)28-17-23(11-14-29(28)35-26)31(38,30-19-34-20-37(30)3)22-9-12-24(32)13-10-22/h4-14,16-20,38H,15H2,1-3H3/b8-5-.
What are the key properties of (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 543.50 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-chlorophenyl)-2-[(Z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 58635553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).