N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide

C17H12N4O2 — CID 60543842

IUPACN-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H12N4O2/c22-16-12-3-1-2-4-15(12)18-9-13(16)17(23)20-11-5-6-14-10(7-11)8-19-21-14/h1-9H,(H,18,22)(H,19,21)(H,20,23)
InChIKeyARKXESFMDHOPGG-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.66
Rot. Bonds2

About N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide

N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 60543842) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID60543842
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C17H12N4O2/c22-16-12-3-1-2-4-15(12)18-9-13(16)17(23)20-11-5-6-14-10(7-11)8-19-21-14/h1-9H,(H,18,22)(H,19,21)(H,20,23)
InChIKeyARKXESFMDHOPGG-UHFFFAOYSA-N
XLogP2.66
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-(1-acetylindol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66674873
N-(1H-indazol-5-yl)-2-phenoxybenzamide
CID 117073693
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87101826
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 60543842) is N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ARKXESFMDHOPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-16-12-3-1-2-4-15(12)18-9-13(16)17(23)20-11-5-6-14-10(7-11)8-19-21-14/h1-9H,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide?
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 60543842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).