2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide

C17H12N6O2 — CID 25068582

IUPAC2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(C2N=NN=N2)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H12N6O2/c24-16(13-9-10-4-1-2-7-14(10)19-17(13)25)18-12-6-3-5-11(8-12)15-20-22-23-21-15/h1-9,15H,(H,18,24)(H,19,25)
InChIKeyJZJMWGOUBNOIMO-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.61
Rot. Bonds3

About 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide

2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide (PubChem CID 25068582) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
PubChem CID25068582
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(C2N=NN=N2)c1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H12N6O2/c24-16(13-9-10-4-1-2-7-14(10)19-17(13)25)18-12-6-3-5-11(8-12)15-20-22-23-21-15/h1-9,15H,(H,18,24)(H,19,25)
InChIKeyJZJMWGOUBNOIMO-UHFFFAOYSA-N
XLogP3.61
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 46431770
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55946831
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 67960562
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55728032
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 24624798
N-(2-amino-1-cyclopropylethyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119614890

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide (CID 25068582) is 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide is O=C(Nc1cccc(C2N=NN=N2)c1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
The InChIKey is JZJMWGOUBNOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c24-16(13-9-10-4-1-2-7-14(10)19-17(13)25)18-12-6-3-5-11(8-12)15-20-22-23-21-15/h1-9,15H,(H,18,24)(H,19,25).
What are the key properties of 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide?
2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 25068582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).