2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide

C14H14ClN5O2 — CID 16669390

IUPAC2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O
InChIInChI=1S/C14H14ClN5O2/c1-2-5-16-12(21)7-20-14(22)19-8-17-11-6-9(15)3-4-10(11)13(19)18-20/h3-4,6,8H,2,5,7H2,1H3,(H,16,21)
InChIKeyFZDDKMUOXQJARP-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.22
Rot. Bonds4

About 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide

2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide (PubChem CID 16669390) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide
PubChem CID16669390
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O
InChIInChI=1S/C14H14ClN5O2/c1-2-5-16-12(21)7-20-14(22)19-8-17-11-6-9(15)3-4-10(11)13(19)18-20/h3-4,6,8H,2,5,7H2,1H3,(H,16,21)
InChIKeyFZDDKMUOXQJARP-UHFFFAOYSA-N
XLogP1.22
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 53020197
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 53020196
2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
CID 53020107
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
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
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16675463
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
N-(4-acetylphenyl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073699
N-(3-fluorophenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020040
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-quinolin-5-ylacetamide
CID 16675465
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-[2-(4-chlorophenyl)ethyl]-2-(5-oxo-11-pyrrolidin-1-yl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl)acetamide
CID 50845022

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide?
The IUPAC name of 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide (CID 16669390) is 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide is CCCNC(=O)Cn1nc2c3ccc(Cl)cc3ncn2c1=O.
What is the InChIKey of 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide?
The InChIKey is FZDDKMUOXQJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-2-5-16-12(21)7-20-14(22)19-8-17-11-6-9(15)3-4-10(11)13(19)18-20/h3-4,6,8H,2,5,7H2,1H3,(H,16,21).
What are the key properties of 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide?
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide has a molecular weight of 319.75 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide is sourced from PubChem (CID 16669390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).