3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one

C11H7N5O2 — CID 66826003

IUPAC3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1nn[nH]n1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C11H7N5O2/c17-9(10-13-15-16-14-10)7-5-6-3-1-2-4-8(6)12-11(7)18/h1-5H,(H,12,18)(H,13,14,15,16)
InChIKeyBBPCQVYYILTZAN-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.27
Rot. Bonds2

About 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one

3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one (PubChem CID 66826003) has the molecular formula C11H7N5O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one
PubChem CID66826003
Molecular FormulaC11H7N5O2
Molecular Weight241.21 g/mol
Exact Mass241.06
IUPAC Name3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1nn[nH]n1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C11H7N5O2/c17-9(10-13-15-16-14-10)7-5-6-3-1-2-4-8(6)12-11(7)18/h1-5H,(H,12,18)(H,13,14,15,16)
InChIKeyBBPCQVYYILTZAN-UHFFFAOYSA-N
XLogP0.27
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxynaphthalene-2-carbonyl)-1H-quinolin-2-one
CID 628875
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-oxo-1H-quinoline-3-carboxylic acid;quinoline
CID 70597334
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 70202514
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one (CID 66826003) is 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one is O=C(c1nn[nH]n1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one?
The InChIKey is BBPCQVYYILTZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2/c17-9(10-13-15-16-14-10)7-5-6-3-1-2-4-8(6)12-11(7)18/h1-5H,(H,12,18)(H,13,14,15,16).
What are the key properties of 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one?
3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one has a molecular weight of 241.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazole-5-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 66826003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).