2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

C18H15N7O2 — CID 90649648

IUPAC2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C18H15N7O2/c26-15-5-8-25(14-4-2-1-3-12(14)15)11-17(27)21-10-16-22-18(24-23-16)13-9-19-6-7-20-13/h1-9H,10-11H2,(H,21,27)(H,22,23,24)
InChIKeyBQWNWGGZUZQAGU-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (PubChem CID 90649648) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
PubChem CID90649648
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)NCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C18H15N7O2/c26-15-5-8-25(14-4-2-1-3-12(14)15)11-17(27)21-10-16-22-18(24-23-16)13-9-19-6-7-20-13/h1-9H,10-11H2,(H,21,27)(H,22,23,24)
InChIKeyBQWNWGGZUZQAGU-UHFFFAOYSA-N
XLogP0.89
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 119060951
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 99784300
2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 119060332
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 100643827
5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide
CID 90650267
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 91770853
N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833009
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 138999092
7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 119064166

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide (CID 90649648) is 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is O=C(Cn1ccc(=O)c2ccccc21)NCc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
The InChIKey is BQWNWGGZUZQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c26-15-5-8-25(14-4-2-1-3-12(14)15)11-17(27)21-10-16-22-18(24-23-16)13-9-19-6-7-20-13/h1-9H,10-11H2,(H,21,27)(H,22,23,24).
What are the key properties of 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide?
2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide is sourced from PubChem (CID 90649648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).