N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide

C25H16N6O3 — CID 135472206

IUPACN-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H16N6O3/c32-22-14-21(31-25(28-22)29-23(30-31)20-11-6-12-34-20)27-24(33)17-13-19(15-7-2-1-3-8-15)26-18-10-5-4-9-16(17)18/h1-14H,(H,27,33)(H,28,29,30,32)
InChIKeyQVTMRXGRAVDDOH-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.15
Rot. Bonds4

About N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide

N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 135472206) has the molecular formula C25H16N6O3 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide
PubChem CID135472206
Molecular FormulaC25H16N6O3
Molecular Weight448.44 g/mol
Exact Mass448.13
IUPAC NameN-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H16N6O3/c32-22-14-21(31-25(28-22)29-23(30-31)20-11-6-12-34-20)27-24(33)17-13-19(15-7-2-1-3-8-15)26-18-10-5-4-9-16(17)18/h1-14H,(H,27,33)(H,28,29,30,32)
InChIKeyQVTMRXGRAVDDOH-UHFFFAOYSA-N
XLogP4.15
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
CID 135532027
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-iodobenzamide
CID 136615235
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
CID 51114321
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
3-bromo-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400078
N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 156700857
2-fluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 135955460
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400147
2-(2-aminophenyl)-N-[5-(furan-2-yl)-1H-imidazol-2-yl]quinoline-4-carboxamide
CID 175195077

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide (CID 135472206) is N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide is O=C(Nc1cc(=O)[nH]c2nc(-c3ccco3)nn12)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is QVTMRXGRAVDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O3/c32-22-14-21(31-25(28-22)29-23(30-31)20-11-6-12-34-20)27-24(33)17-13-19(15-7-2-1-3-8-15)26-18-10-5-4-9-16(17)18/h1-14H,(H,27,33)(H,28,29,30,32).
What are the key properties of N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide?
N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 448.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 135472206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).