7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one

C12H10BrN5O — CID 13474410

IUPAC7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
SMILESCn1nnnc1-c1cn(C)c2cc(Br)ccc2c1=O
InChIInChI=1S/C12H10BrN5O/c1-17-6-9(12-14-15-16-18(12)2)11(19)8-4-3-7(13)5-10(8)17/h3-6H,1-2H3
InChIKeyKIHOABHLXKOYJE-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.49
Rot. Bonds1

About 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one

7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one (PubChem CID 13474410) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
PubChem CID13474410
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
SMILESCn1nnnc1-c1cn(C)c2cc(Br)ccc2c1=O
InChIInChI=1S/C12H10BrN5O/c1-17-6-9(12-14-15-16-18(12)2)11(19)8-4-3-7(13)5-10(8)17/h3-6H,1-2H3
InChIKeyKIHOABHLXKOYJE-UHFFFAOYSA-N
XLogP1.49
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The IUPAC name of 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one (CID 13474410) is 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one.
What is the SMILES notation for 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The canonical SMILES for 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one is Cn1nnnc1-c1cn(C)c2cc(Br)ccc2c1=O.
What is the InChIKey of 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The InChIKey is KIHOABHLXKOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-17-6-9(12-14-15-16-18(12)2)11(19)8-4-3-7(13)5-10(8)17/h3-6H,1-2H3.
What are the key properties of 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one has a molecular weight of 320.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one is sourced from PubChem (CID 13474410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).