N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide

C18H13N5O — CID 56857585

IUPACN-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C18H13N5O/c24-18(17-19-11-20-23-17)22-16-10-15(12-6-2-1-3-7-12)21-14-9-5-4-8-13(14)16/h1-11H,(H,19,20,23)(H,21,22,24)
InChIKeyCZSDZXCZPUGQME-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.27
Rot. Bonds3

About N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 56857585) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID56857585
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C18H13N5O/c24-18(17-19-11-20-23-17)22-16-10-15(12-6-2-1-3-7-12)21-14-9-5-4-8-13(14)16/h1-11H,(H,19,20,23)(H,21,22,24)
InChIKeyCZSDZXCZPUGQME-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 755004
2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865928
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652944
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
2-pyridin-4-yl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinoline-4-carboxamide
CID 72852185
3-fluoro-4-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652950
N-[amino-[(2-phenylquinolin-4-yl)amino]methylidene]-N'-methylmethanimidamide
CID 143002491
4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
CID 11854402
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 56857585) is N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1cc(-c2ccccc2)nc2ccccc12)c1ncn[nH]1.
What is the InChIKey of N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CZSDZXCZPUGQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-18(17-19-11-20-23-17)22-16-10-15(12-6-2-1-3-7-12)21-14-9-5-4-8-13(14)16/h1-11H,(H,19,20,23)(H,21,22,24).
What are the key properties of N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 56857585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).