3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one

C21H23NO3 — CID 56925629

IUPAC3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(C)cc2c1=O
InChIInChI=1S/C21H23NO3/c1-4-17-15(3)22-19-13-20(14(2)12-18(19)21(17)23)25-11-10-24-16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyJXWBDCIRVLFFNT-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.17
Rot. Bonds6

About 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one

3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one (PubChem CID 56925629) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
PubChem CID56925629
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
SMILESCCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(C)cc2c1=O
InChIInChI=1S/C21H23NO3/c1-4-17-15(3)22-19-13-20(14(2)12-18(19)21(17)23)25-11-10-24-16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyJXWBDCIRVLFFNT-UHFFFAOYSA-N
XLogP4.17
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nequinate
CID 26383
7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
6-Methyl-2-{[(3-phenoxypropyl)amino]methyl}quinolin-4-OL
CID 72901200
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
CID 3086031
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol
CID 341872
6-Butyl-4-hydroxy-3-methoxycarbonyl-7-beta-phenoxyethoxyquinoline
CID 193550
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925756
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The IUPAC name of 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one (CID 56925629) is 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The canonical SMILES for 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one is CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(C)cc2c1=O.
What is the InChIKey of 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
The InChIKey is JXWBDCIRVLFFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-17-15(3)22-19-13-20(14(2)12-18(19)21(17)23)25-11-10-24-16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,23).
What are the key properties of 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one?
3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 56925629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).