2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide

C17H11Cl2N5O2 — CID 53020107

IUPAC2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1nc2c3cc(Cl)ccc3ncn2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H11Cl2N5O2/c18-10-2-1-3-12(6-10)21-15(25)8-24-17(26)23-9-20-14-5-4-11(19)7-13(14)16(23)22-24/h1-7,9H,8H2,(H,21,25)
InChIKeyOFOGWGZQHFKWJD-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.99
Rot. Bonds3

About 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide

2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 53020107) has the molecular formula C17H11Cl2N5O2 and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
PubChem CID53020107
Molecular FormulaC17H11Cl2N5O2
Molecular Weight388.21 g/mol
Exact Mass387.03
IUPAC Name2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1nc2c3cc(Cl)ccc3ncn2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H11Cl2N5O2/c18-10-2-1-3-12(6-10)21-15(25)8-24-17(26)23-9-20-14-5-4-11(19)7-13(14)16(23)22-24/h1-7,9H,8H2,(H,21,25)
InChIKeyOFOGWGZQHFKWJD-UHFFFAOYSA-N
XLogP2.99
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020040
2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53073700
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 53020197
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020114
N-(3-chlorophenyl)-2-(14-oxo-9-thia-11,13,15,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,16-tetraen-15-yl)acetamide
CID 53074258
N-(3,4-dimethoxyphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020053
N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073699
N-(3-chlorophenyl)-2-[8-(3-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020137
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide
CID 16669390
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-quinolin-5-ylacetamide
CID 16675465
N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50786003

Frequently Asked Questions

What is the IUPAC name of 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide (CID 53020107) is 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide is O=C(Cn1nc2c3cc(Cl)ccc3ncn2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is OFOGWGZQHFKWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O2/c18-10-2-1-3-12(6-10)21-15(25)8-24-17(26)23-9-20-14-5-4-11(19)7-13(14)16(23)22-24/h1-7,9H,8H2,(H,21,25).
What are the key properties of 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide?
2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 388.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 53020107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).