(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol

C34H36ClN5O — CID 23577755

IUPAC(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol
SMILESCc1cccc(-c2cc(NCCN3CCCCC3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C34H36ClN5O/c1-24-7-6-8-25(19-24)29-21-33(37-15-18-40-16-4-3-5-17-40)38-31-14-11-27(20-30(29)31)34(41,32-22-36-23-39(32)2)26-9-12-28(35)13-10-26/h6-14,19-23,41H,3-5,15-18H2,1-2H3,(H,37,38)
InChIKeyPLYJISKHZPXWBN-UHFFFAOYSA-N
MW566.15 g/mol
LogP6.78
Rot. Bonds8

About (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol (PubChem CID 23577755) has the molecular formula C34H36ClN5O and a molecular weight of 566.15 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol
PubChem CID23577755
Molecular FormulaC34H36ClN5O
Molecular Weight566.15 g/mol
Exact Mass565.26
IUPAC Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol
SMILESCc1cccc(-c2cc(NCCN3CCCCC3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C34H36ClN5O/c1-24-7-6-8-25(19-24)29-21-33(37-15-18-40-16-4-3-5-17-40)38-31-14-11-27(20-30(29)31)34(41,32-22-36-23-39(32)2)26-9-12-28(35)13-10-26/h6-14,19-23,41H,3-5,15-18H2,1-2H3,(H,37,38)
InChIKeyPLYJISKHZPXWBN-UHFFFAOYSA-N
XLogP6.78
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.15
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-13-chloro-10-[(1R)-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-cyclohexylpiperazine-1-carboxamide
CID 59122535
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-cyclohexylpiperazine-1-carboxamide
CID 59122545
(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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol (CID 23577755) is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol is Cc1cccc(-c2cc(NCCN3CCCCC3)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol?
The InChIKey is PLYJISKHZPXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClN5O/c1-24-7-6-8-25(19-24)29-21-33(37-15-18-40-16-4-3-5-17-40)38-31-14-11-27(20-30(29)31)34(41,32-22-36-23-39(32)2)26-9-12-28(35)13-10-26/h6-14,19-23,41H,3-5,15-18H2,1-2H3,(H,37,38).
What are the key properties of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol?
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol has a molecular weight of 566.15 g/mol, XLogP of 6.78, 8 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-(2-piperidin-1-ylethylamino)quinolin-6-yl]methanol is sourced from PubChem (CID 23577755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).