1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one

C22H24N2O4 — CID 69185939

IUPAC1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1OCCCCON1C(=O)CCc2ccccc21
InChIInChI=1S/C22H24N2O4/c25-21-13-11-17-7-1-3-9-19(17)23(21)27-15-5-6-16-28-24-20-10-4-2-8-18(20)12-14-22(24)26/h1-4,7-10H,5-6,11-16H2
InChIKeyDXQQPZNOFRTEDW-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.59
Rot. Bonds7

About 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one

1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one (PubChem CID 69185939) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
PubChem CID69185939
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1OCCCCON1C(=O)CCc2ccccc21
InChIInChI=1S/C22H24N2O4/c25-21-13-11-17-7-1-3-9-19(17)23(21)27-15-5-6-16-28-24-20-10-4-2-8-18(20)12-14-22(24)26/h1-4,7-10H,5-6,11-16H2
InChIKeyDXQQPZNOFRTEDW-UHFFFAOYSA-N
XLogP3.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
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-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one (CID 69185939) is 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1OCCCCON1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is DXQQPZNOFRTEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-21-13-11-17-7-1-3-9-19(17)23(21)27-15-5-6-16-28-24-20-10-4-2-8-18(20)12-14-22(24)26/h1-4,7-10H,5-6,11-16H2.
What are the key properties of 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one?
1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 380.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 69185939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).