2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one

C11H10N6O — CID 130302183

IUPAC2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(-n3cnnn3)ccc2[nH]1
InChIInChI=1S/C11H10N6O/c12-5-7-3-11(18)9-4-8(1-2-10(9)14-7)17-6-13-15-16-17/h1-4,6H,5,12H2,(H,14,18)
InChIKeyMEWOAUHQJYSULF-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.04
Rot. Bonds2

About 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one

2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one (PubChem CID 130302183) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one
PubChem CID130302183
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one
SMILESNCc1cc(=O)c2cc(-n3cnnn3)ccc2[nH]1
InChIInChI=1S/C11H10N6O/c12-5-7-3-11(18)9-4-8(1-2-10(9)14-7)17-6-13-15-16-17/h1-4,6H,5,12H2,(H,14,18)
InChIKeyMEWOAUHQJYSULF-UHFFFAOYSA-N
XLogP-0.04
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one (CID 130302183) is 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one is NCc1cc(=O)c2cc(-n3cnnn3)ccc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one?
The InChIKey is MEWOAUHQJYSULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-5-7-3-11(18)9-4-8(1-2-10(9)14-7)17-6-13-15-16-17/h1-4,6H,5,12H2,(H,14,18).
What are the key properties of 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one?
2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one has a molecular weight of 242.24 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(tetrazol-1-yl)-1H-quinolin-4-one is sourced from PubChem (CID 130302183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).