6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one

C12H11N5O2 — CID 135802407

IUPAC6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(-c3nnnn3C)c(=O)c2c1
InChIInChI=1S/C12H11N5O2/c1-17-12(14-15-16-17)9-6-13-10-4-3-7(19-2)5-8(10)11(9)18/h3-6H,1-2H3,(H,13,18)
InChIKeyLDNGIORVDHXRLH-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.73
Rot. Bonds2

About 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one

6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one (PubChem CID 135802407) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
PubChem CID135802407
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(-c3nnnn3C)c(=O)c2c1
InChIInChI=1S/C12H11N5O2/c1-17-12(14-15-16-17)9-6-13-10-4-3-7(19-2)5-8(10)11(9)18/h3-6H,1-2H3,(H,13,18)
InChIKeyLDNGIORVDHXRLH-UHFFFAOYSA-N
XLogP0.73
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802408
3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
CID 3536587
2-(5-methoxy-1H-indol-3-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 136576879
5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
CID 135479895
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
CID 89426524
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one (CID 135802407) is 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one is COc1ccc2[nH]cc(-c3nnnn3C)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
The InChIKey is LDNGIORVDHXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-17-12(14-15-16-17)9-6-13-10-4-3-7(19-2)5-8(10)11(9)18/h3-6H,1-2H3,(H,13,18).
What are the key properties of 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one?
6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one has a molecular weight of 257.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one is sourced from PubChem (CID 135802407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).