[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C27H20Cl2N6O — CID 23388939

IUPAC[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12
InChIInChI=1S/C27H20Cl2N6O/c1-34-15-31-14-24(34)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-32-33-26(30)35(23)25/h2-15,36H,1H3,(H2,30,33)
InChIKeyISLMVFGJQNJLNK-UHFFFAOYSA-N
MW515.40 g/mol
LogP5.46
Rot. Bonds4

About [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 23388939) has the molecular formula C27H20Cl2N6O and a molecular weight of 515.40 g/mol. Its IUPAC name is [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID23388939
Molecular FormulaC27H20Cl2N6O
Molecular Weight515.40 g/mol
Exact Mass514.11
IUPAC Name[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12
InChIInChI=1S/C27H20Cl2N6O/c1-34-15-31-14-24(34)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-32-33-26(30)35(23)25/h2-15,36H,1H3,(H2,30,33)
InChIKeyISLMVFGJQNJLNK-UHFFFAOYSA-N
XLogP5.46
TPSA94.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.40
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
(4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl)(1-methyl-1H-imidazol-5-yl)methanamine
CID 9935716
4-[[5-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 16724146
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388879
(4-Chlorophenyl)-[5-(3-chlorophenyl)-1-phenyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 23388932
(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
[4-Chloro-2-(diethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716129

Frequently Asked Questions

What is the IUPAC name of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 23388939) is [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12.
What is the InChIKey of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is ISLMVFGJQNJLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N6O/c1-34-15-31-14-24(34)27(36,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-32-33-26(30)35(23)25/h2-15,36H,1H3,(H2,30,33).
What are the key properties of [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
[1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 515.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 23388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).