6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one

C18H17NO2 — CID 155209406

IUPAC6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one
SMILESCCOCc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C18H17NO2/c1-2-21-12-13-8-9-16-15(10-13)18(20)11-17(19-16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyZWIDFLNEGVZKQK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.73
Rot. Bonds4

About 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one

6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one (PubChem CID 155209406) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one
PubChem CID155209406
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one
SMILESCCOCc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C18H17NO2/c1-2-21-12-13-8-9-16-15(10-13)18(20)11-17(19-16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,20)
InChIKeyZWIDFLNEGVZKQK-UHFFFAOYSA-N
XLogP3.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Ethyl 4-hydroxy-2-methylquinoline-6-carboxylate
CID 232605
propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
CID 11594914
diethyl 7-methyl-2-phenyl-4-[(E)-2-phenylethenyl]-1,4-dihydroquinoline-3,6-dicarboxylate
CID 44354206
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 11521754
2-Phenylethyl 4-acetamidobenzoate
CID 2449194
2-Oxo-2-phenylethyl 2-anilinobenzoate
CID 607001
(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate
CID 663555
Ethyl 4-[(3,4-dioxonaphthalen-1-yl)amino]benzoate
CID 691731

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one (CID 155209406) is 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one is CCOCc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one?
The InChIKey is ZWIDFLNEGVZKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-21-12-13-8-9-16-15(10-13)18(20)11-17(19-16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,20).
What are the key properties of 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one?
6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 155209406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).