7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde

C17H10ClN3O — CID 14357899

IUPAC7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)c2cc(Cl)ccc2n2cnnc12
InChIInChI=1S/C17H10ClN3O/c18-12-6-7-15-13(8-12)16(11-4-2-1-3-5-11)14(9-22)17-20-19-10-21(15)17/h1-10H
InChIKeyCFQIOHJIXAFTFN-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.02
Rot. Bonds2

About 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde

7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde (PubChem CID 14357899) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
PubChem CID14357899
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)c2cc(Cl)ccc2n2cnnc12
InChIInChI=1S/C17H10ClN3O/c18-12-6-7-15-13(8-12)16(11-4-2-1-3-5-11)14(9-22)17-20-19-10-21(15)17/h1-10H
InChIKeyCFQIOHJIXAFTFN-UHFFFAOYSA-N
XLogP4.02
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde 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

6-chloro-9-ethyl-3,4-diphenylpyrano[2,3-b]indol-2-one
CID 171406300
1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde
CID 135066812
(5-chloro-1-methyl-3-phenylindol-2-yl) hydrogen carbonate
CID 67802401
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
CID 23388862
7-chloro-5-phenylimidazo[1,2-a]quinoline
CID 14357903
6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742339
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
1,5-diphenylanthracene-2,3,6,7-tetracarbaldehyde
CID 173151279
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627
6-chloro-3-(6-chloroindol-1-yl)-1-methyl-4-phenylquinolin-2-one
CID 134306095
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 3745187

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
The IUPAC name of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde (CID 14357899) is 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
The canonical SMILES for 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde is O=Cc1c(-c2ccccc2)c2cc(Cl)ccc2n2cnnc12.
What is the InChIKey of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
The InChIKey is CFQIOHJIXAFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-12-6-7-15-13(8-12)16(11-4-2-1-3-5-11)14(9-22)17-20-19-10-21(15)17/h1-10H.
What are the key properties of 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde has a molecular weight of 307.74 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 14357899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).