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

C34H32ClN5O — CID 23577752

IUPAC(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol
SMILESCc1cccc(-c2cc(NCCc3cccn3C)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C34H32ClN5O/c1-23-6-4-7-24(18-23)29-20-33(37-16-15-28-8-5-17-39(28)2)38-31-14-11-26(19-30(29)31)34(41,32-21-36-22-40(32)3)25-9-12-27(35)13-10-25/h4-14,17-22,41H,15-16H2,1-3H3,(H,37,38)
InChIKeyNNNUPXJRYRIILX-UHFFFAOYSA-N
MW562.12 g/mol
LogP6.87
Rot. Bonds8

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

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol (PubChem CID 23577752) has the molecular formula C34H32ClN5O and a molecular weight of 562.12 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol
PubChem CID23577752
Molecular FormulaC34H32ClN5O
Molecular Weight562.12 g/mol
Exact Mass561.23
IUPAC Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol
SMILESCc1cccc(-c2cc(NCCc3cccn3C)nc3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C34H32ClN5O/c1-23-6-4-7-24(18-23)29-20-33(37-16-15-28-8-5-17-39(28)2)38-31-14-11-26(19-30(29)31)34(41,32-21-36-22-40(32)3)25-9-12-27(35)13-10-25/h4-14,17-22,41H,15-16H2,1-3H3,(H,37,38)
InChIKeyNNNUPXJRYRIILX-UHFFFAOYSA-N
XLogP6.87
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.12
LogP ≤ 56.87
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
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74220546
(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
[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
(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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol (CID 23577752) is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol is Cc1cccc(-c2cc(NCCc3cccn3C)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-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol?
The InChIKey is NNNUPXJRYRIILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN5O/c1-23-6-4-7-24(18-23)29-20-33(37-16-15-28-8-5-17-39(28)2)38-31-14-11-26(19-30(29)31)34(41,32-21-36-22-40(32)3)25-9-12-27(35)13-10-25/h4-14,17-22,41H,15-16H2,1-3H3,(H,37,38).
What are the key properties of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol?
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[4-(3-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol has a molecular weight of 562.12 g/mol, XLogP of 6.87, 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-(1-methylpyrrol-2-yl)ethylamino]quinolin-6-yl]methanol is sourced from PubChem (CID 23577752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).