2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C19H14F3N5O2 — CID 53073712

IUPAC2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc2c1ncn1c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C19H14F3N5O2/c1-11-3-2-4-14-16(11)23-10-26-17(14)25-27(18(26)29)9-15(28)24-13-7-5-12(6-8-13)19(20,21)22/h2-8,10H,9H2,1H3,(H,24,28)
InChIKeyIISREQWLRCCIQI-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.01
Rot. Bonds3

About 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 53073712) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID53073712
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc2c1ncn1c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C19H14F3N5O2/c1-11-3-2-4-14-16(11)23-10-26-17(14)25-27(18(26)29)9-15(28)24-13-7-5-12(6-8-13)19(20,21)22/h2-8,10H,9H2,1H3,(H,24,28)
InChIKeyIISREQWLRCCIQI-UHFFFAOYSA-N
XLogP3.01
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020247
2-[10-(4-methylphenyl)-5-oxo-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46383087
N-(2,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020224
N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073711
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90542359
2-[10-(4-methylphenyl)-5-oxo-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46383086
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-(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
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53073700

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 53073712) is 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1cccc2c1ncn1c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)nc21.
What is the InChIKey of 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IISREQWLRCCIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-11-3-2-4-14-16(11)23-10-26-17(14)25-27(18(26)29)9-15(28)24-13-7-5-12(6-8-13)19(20,21)22/h2-8,10H,9H2,1H3,(H,24,28).
What are the key properties of 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53073712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).