N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide

C20H17N5O2 — CID 100643827

IUPACN-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESCn1nc(-c2ccccc2)nc1NC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C20H17N5O2/c1-24-20(22-19(23-24)14-7-3-2-4-8-14)21-18(27)13-25-12-11-17(26)15-9-5-6-10-16(15)25/h2-12H,13H2,1H3,(H,21,22,23,27)
InChIKeyRNMXCSLOIGRXAZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.44
Rot. Bonds4

About N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide

N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 100643827) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID100643827
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
SMILESCn1nc(-c2ccccc2)nc1NC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C20H17N5O2/c1-24-20(22-19(23-24)14-7-3-2-4-8-14)21-18(27)13-25-12-11-17(26)15-9-5-6-10-16(15)25/h2-12H,13H2,1H3,(H,21,22,23,27)
InChIKeyRNMXCSLOIGRXAZ-UHFFFAOYSA-N
XLogP2.44
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 47781887
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
1-[[2-(4-oxoquinolin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538567
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
3-(4-oxoquinolin-1-yl)propanoic acid
CID 53264528
N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780650
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide (CID 100643827) is N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide is Cn1nc(-c2ccccc2)nc1NC(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is RNMXCSLOIGRXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-24-20(22-19(23-24)14-7-3-2-4-8-14)21-18(27)13-25-12-11-17(26)15-9-5-6-10-16(15)25/h2-12H,13H2,1H3,(H,21,22,23,27).
What are the key properties of N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide?
N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100643827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).