1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one

C15H21NO2 — CID 68791500

IUPAC1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
SMILESCOCCCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2)11-14(17)16(9-6-10-18-3)13-8-5-4-7-12(13)15/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyXYXMRWBIAZUCOP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds4

About 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one

1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one (PubChem CID 68791500) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
PubChem CID68791500
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
SMILESCOCCCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C15H21NO2/c1-15(2)11-14(17)16(9-6-10-18-3)13-8-5-4-7-12(13)15/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyXYXMRWBIAZUCOP-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one (CID 68791500) is 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one is COCCCN1C(=O)CC(C)(C)c2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one?
The InChIKey is XYXMRWBIAZUCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)11-14(17)16(9-6-10-18-3)13-8-5-4-7-12(13)15/h4-5,7-8H,6,9-11H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one?
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one is sourced from PubChem (CID 68791500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).