6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C24H17ClN4O3 — CID 53093454

IUPAC6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)c1
InChIInChI=1S/C24H17ClN4O3/c1-32-18-9-5-7-16(13-18)22-26-23-19-10-2-3-11-20(19)28(24(31)29(23)27-22)14-21(30)15-6-4-8-17(25)12-15/h2-13H,14H2,1H3
InChIKeySUCQNPSKOXSEGU-UHFFFAOYSA-N
MW444.88 g/mol
LogP4.26
Rot. Bonds5

About 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one

6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 53093454) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID53093454
Molecular FormulaC24H17ClN4O3
Molecular Weight444.88 g/mol
Exact Mass444.10
IUPAC Name6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)c1
InChIInChI=1S/C24H17ClN4O3/c1-32-18-9-5-7-16(13-18)22-26-23-19-10-2-3-11-20(19)28(24(31)29(23)27-22)14-21(30)15-6-4-8-17(25)12-15/h2-13H,14H2,1H3
InChIKeySUCQNPSKOXSEGU-UHFFFAOYSA-N
XLogP4.26
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one with MolForge

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Related Compounds

6-[2-(4-bromophenyl)-2-oxoethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 6622729
2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 53093409
3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 17147929
3-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 53368485
1-(3-chlorophenyl)-2-indazol-1-ylethanone
CID 62141890
(5E)-2-(3-chlorophenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2142893
(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide
CID 172755951
1-(3-chlorophenyl)-2-[3-[2-(3-methoxyphenyl)-2-oxoethyl]imidazol-3-ium-1-yl]ethanone
CID 87987175
6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 54579673
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 54909682
3-(3-chlorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione
CID 46061318
4-[2-(4-methoxyphenyl)-2-oxoethyl]imidazo[1,5-a]quinazolin-5-one
CID 145361629

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 53093454) is 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is SUCQNPSKOXSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c1-32-18-9-5-7-16(13-18)22-26-23-19-10-2-3-11-20(19)28(24(31)29(23)27-22)14-21(30)15-6-4-8-17(25)12-15/h2-13H,14H2,1H3.
What are the key properties of 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 444.88 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 53093454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).