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

C14H16N6O — CID 13474436

IUPAC7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
SMILESCN(C)c1ccc2c(=O)c(-c3nnnn3C)cn(C)c2c1
InChIInChI=1S/C14H16N6O/c1-18(2)9-5-6-10-12(7-9)19(3)8-11(13(10)21)14-15-16-17-20(14)4/h5-8H,1-4H3
InChIKeySHUFXYHVYDDRQN-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.80
Rot. Bonds2

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

7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one (PubChem CID 13474436) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
PubChem CID13474436
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
SMILESCN(C)c1ccc2c(=O)c(-c3nnnn3C)cn(C)c2c1
InChIInChI=1S/C14H16N6O/c1-18(2)9-5-6-10-12(7-9)19(3)8-11(13(10)21)14-15-16-17-20(14)4/h5-8H,1-4H3
InChIKeySHUFXYHVYDDRQN-UHFFFAOYSA-N
XLogP0.80
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The IUPAC name of 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one (CID 13474436) is 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one.
What is the SMILES notation for 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The canonical SMILES for 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one is CN(C)c1ccc2c(=O)c(-c3nnnn3C)cn(C)c2c1.
What is the InChIKey of 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The InChIKey is SHUFXYHVYDDRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-18(2)9-5-6-10-12(7-9)19(3)8-11(13(10)21)14-15-16-17-20(14)4/h5-8H,1-4H3.
What are the key properties of 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one?
7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one has a molecular weight of 284.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one is sourced from PubChem (CID 13474436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).