1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one

C15H21N3O — CID 81237099

IUPAC1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one
SMILESCNCCCN(C)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-16-9-6-10-17(2)14-11-15(19)18(3)13-8-5-4-7-12(13)14/h4-5,7-8,11,16H,6,9-10H2,1-3H3
InChIKeyHYFMLNMZEDXUDK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.58
Rot. Bonds5

About 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one

1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one (PubChem CID 81237099) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one
PubChem CID81237099
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one
SMILESCNCCCN(C)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C15H21N3O/c1-16-9-6-10-17(2)14-11-15(19)18(3)13-8-5-4-7-12(13)14/h4-5,7-8,11,16H,6,9-10H2,1-3H3
InChIKeyHYFMLNMZEDXUDK-UHFFFAOYSA-N
XLogP1.58
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one (CID 81237099) is 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one is CNCCCN(C)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one?
The InChIKey is HYFMLNMZEDXUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-9-6-10-17(2)14-11-15(19)18(3)13-8-5-4-7-12(13)14/h4-5,7-8,11,16H,6,9-10H2,1-3H3.
What are the key properties of 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one?
1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl-[3-(methylamino)propyl]amino]quinolin-2-one is sourced from PubChem (CID 81237099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).