(4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C17H15N7O2 — CID 126436950

IUPAC(4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCc2nc(-c3cnccn3)n[nH]2)c2ccccc2N1
InChIInChI=1S/C17H15N7O2/c25-15-7-11(10-3-1-2-4-12(10)21-15)17(26)20-9-14-22-16(24-23-14)13-8-18-5-6-19-13/h1-6,8,11H,7,9H2,(H,20,26)(H,21,25)(H,22,23,24)/t11-/m1/s1
InChIKeyIXYJXALGOGQYOW-LLVKDONJSA-N
MW349.35 g/mol
LogP1.00
Rot. Bonds4

About (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 126436950) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID126436950
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name(4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCc2nc(-c3cnccn3)n[nH]2)c2ccccc2N1
InChIInChI=1S/C17H15N7O2/c25-15-7-11(10-3-1-2-4-12(10)21-15)17(26)20-9-14-22-16(24-23-14)13-8-18-5-6-19-13/h1-6,8,11H,7,9H2,(H,20,26)(H,21,25)(H,22,23,24)/t11-/m1/s1
InChIKeyIXYJXALGOGQYOW-LLVKDONJSA-N
XLogP1.00
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 90649648
N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42884361
(4R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94022869
(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94171644
(4S)-2-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94172494
N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126436107
(4aR,6S,8aR)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide
CID 154820834
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 126436950) is (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)NCc2nc(-c3cnccn3)n[nH]2)c2ccccc2N1.
What is the InChIKey of (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is IXYJXALGOGQYOW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N7O2/c25-15-7-11(10-3-1-2-4-12(10)21-15)17(26)20-9-14-22-16(24-23-14)13-8-18-5-6-19-13/h1-6,8,11H,7,9H2,(H,20,26)(H,21,25)(H,22,23,24)/t11-/m1/s1.
What are the key properties of (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 126436950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).