4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one

C21H27NO2 — CID 46886200

IUPAC4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one
SMILESCC(C)=CCCOc1c(CCC=C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C21H27NO2/c1-15(2)9-7-12-18-20(24-14-8-10-16(3)4)17-11-5-6-13-19(17)22-21(18)23/h5-6,9-11,13H,7-8,12,14H2,1-4H3,(H,22,23)
InChIKeyQXMJZXDMTKQDQL-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.16
Rot. Bonds7

About 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one

4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one (PubChem CID 46886200) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one
PubChem CID46886200
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one
SMILESCC(C)=CCCOc1c(CCC=C(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C21H27NO2/c1-15(2)9-7-12-18-20(24-14-8-10-16(3)4)17-11-5-6-13-19(17)22-21(18)23/h5-6,9-11,13H,7-8,12,14H2,1-4H3,(H,22,23)
InChIKeyQXMJZXDMTKQDQL-UHFFFAOYSA-N
XLogP5.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dihydroxyquinoline
CID 54680871
6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
CID 448724
4-((Cyclopropylethynyl)oxy)-6-fluoro-3-isopropylquinolin-2(1H)-one
CID 448725
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
Flindersine
CID 68230
4-methoxy-N-methyl-2-quinolone
CID 182073
Bucharaine
CID 5338262
4-Ethoxycarbonyl-2-quinolone
CID 160782
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
4-(cyclopentoxy)-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
CID 503372

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one (CID 46886200) is 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one is CC(C)=CCCOc1c(CCC=C(C)C)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one?
The InChIKey is QXMJZXDMTKQDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(2)9-7-12-18-20(24-14-8-10-16(3)4)17-11-5-6-13-19(17)22-21(18)23/h5-6,9-11,13H,7-8,12,14H2,1-4H3,(H,22,23).
What are the key properties of 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one?
4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one has a molecular weight of 325.45 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-3-enoxy)-3-(4-methylpent-3-enyl)-1H-quinolin-2-one is sourced from PubChem (CID 46886200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).