(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol

C33H28ClN5O — CID 23577757

IUPAC(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol
SMILESCc1cccc(-c2cc(NCc3ccncc3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C33H28ClN5O/c1-22-4-3-5-24(16-22)28-18-32(37-19-23-12-14-35-15-13-23)38-30-11-8-26(17-29(28)30)33(40,31-20-36-21-39(31)2)25-6-9-27(34)10-7-25/h3-18,20-21,40H,19H2,1-2H3,(H,37,38)
InChIKeyZNJJRGSVPMKHJO-UHFFFAOYSA-N
MW546.07 g/mol
LogP6.89
Rot. Bonds7

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

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol (PubChem CID 23577757) has the molecular formula C33H28ClN5O and a molecular weight of 546.07 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol
PubChem CID23577757
Molecular FormulaC33H28ClN5O
Molecular Weight546.07 g/mol
Exact Mass545.20
IUPAC Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol
SMILESCc1cccc(-c2cc(NCc3ccncc3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C33H28ClN5O/c1-22-4-3-5-24(16-22)28-18-32(37-19-23-12-14-35-15-13-23)38-30-11-8-26(17-29(28)30)33(40,31-20-36-21-39(31)2)25-6-9-27(34)10-7-25/h3-18,20-21,40H,19H2,1-2H3,(H,37,38)
InChIKeyZNJJRGSVPMKHJO-UHFFFAOYSA-N
XLogP6.89
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.07
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol with MolForge

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Launch Full Analysis

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
4-[(2S)-13-chloro-10-[(1S)-1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 76335995
4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
CID 44357811
(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-Chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 74222308
(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
[2-Chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716113
[4-Chloro-2-(diethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716129
(4-Chlorophenyl)(1-methyl-1H-imidazol-5-yl)(3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl)methanol
CID 86716130

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol (CID 23577757) is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol is Cc1cccc(-c2cc(NCc3ccncc3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol?
The InChIKey is ZNJJRGSVPMKHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN5O/c1-22-4-3-5-24(16-22)28-18-32(37-19-23-12-14-35-15-13-23)38-30-11-8-26(17-29(28)30)33(40,31-20-36-21-39(31)2)25-6-9-27(34)10-7-25/h3-18,20-21,40H,19H2,1-2H3,(H,37,38).
What are the key properties of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol?
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol has a molecular weight of 546.07 g/mol, XLogP of 6.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)quinolin-6-yl]methanol is sourced from PubChem (CID 23577757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).