4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C19H21NO3 — CID 645844

IUPAC4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O
InChIInChI=1S/C19H21NO3/c1-4-23-18-9-13(5-6-17(18)21)14-10-19(22)20-16-8-12(3)11(2)7-15(14)16/h5-9,14,21H,4,10H2,1-3H3,(H,20,22)
InChIKeyQHALZACAAMKUSS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.88
Rot. Bonds3

About 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 645844) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID645844
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O
InChIInChI=1S/C19H21NO3/c1-4-23-18-9-13(5-6-17(18)21)14-10-19(22)20-16-8-12(3)11(2)7-15(14)16/h5-9,14,21H,4,10H2,1-3H3,(H,20,22)
InChIKeyQHALZACAAMKUSS-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 645844) is 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is CCOc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)ccc1O.
What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QHALZACAAMKUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-23-18-9-13(5-6-17(18)21)14-10-19(22)20-16-8-12(3)11(2)7-15(14)16/h5-9,14,21H,4,10H2,1-3H3,(H,20,22).
What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 645844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).