2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one

C15H19N3O — CID 69171507

IUPAC2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-11-9-15(19)13-10-12(3-4-14(13)16-11)18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyVSXGGLIWLQDLGY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.59
Rot. Bonds1

About 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one

2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one (PubChem CID 69171507) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
PubChem CID69171507
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1
InChIInChI=1S/C15H19N3O/c1-11-9-15(19)13-10-12(3-4-14(13)16-11)18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyVSXGGLIWLQDLGY-UHFFFAOYSA-N
XLogP1.59
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 54528949
methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
CID 63376573
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 83972146
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
6-methyl-4-[4-(4-methylpiperazin-1-yl)-2-methylsulfonylphenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586124
6-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 132843535
6-(4-chlorobut-1-ynyl)-2-methyl-1H-quinolin-4-one
CID 170468512
tert-butyl 5-(4-methylpiperazin-1-yl)-1H-indole-3-carboxylate
CID 174611063
4-iodoaniline;6-iodo-2-methyl-1H-quinolin-4-one
CID 68780891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one (CID 69171507) is 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one is Cc1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1.
What is the InChIKey of 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
The InChIKey is VSXGGLIWLQDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-15(19)13-10-12(3-4-14(13)16-11)18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,19).
What are the key properties of 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one has a molecular weight of 257.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one is sourced from PubChem (CID 69171507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).