2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C18H16N6O2 — CID 166352020

IUPAC2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(CC1CC(=O)Nc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6O2/c25-15-9-11(12-5-1-2-6-13(12)20-15)10-16(26)21-18-22-17(23-24-18)14-7-3-4-8-19-14/h1-8,11H,9-10H2,(H,20,25)(H2,21,22,23,24,26)
InChIKeyXCJUDRQLBWZTFT-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 166352020) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID166352020
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(CC1CC(=O)Nc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6O2/c25-15-9-11(12-5-1-2-6-13(12)20-15)10-16(26)21-18-22-17(23-24-18)14-7-3-4-8-19-14/h1-8,11H,9-10H2,(H,20,25)(H2,21,22,23,24,26)
InChIKeyXCJUDRQLBWZTFT-UHFFFAOYSA-N
XLogP2.32
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide
CID 71878985
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
N-(1-cyclobutylpyrazol-4-yl)-2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 136567356
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 51092030
3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 146521985
(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95770781
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057837
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 166352020) is 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is O=C(CC1CC(=O)Nc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is XCJUDRQLBWZTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-15-9-11(12-5-1-2-6-13(12)20-15)10-16(26)21-18-22-17(23-24-18)14-7-3-4-8-19-14/h1-8,11H,9-10H2,(H,20,25)(H2,21,22,23,24,26).
What are the key properties of 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 166352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).