4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C19H21NO4 — CID 2942971

IUPAC4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-13-7-5-12(6-8-13)14-10-19(21)20-16-11-18(23-3)17(22-2)9-15(14)16/h5-9,11,14H,4,10H2,1-3H3,(H,20,21)
InChIKeyCPTNENMTAHUBJQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.58
Rot. Bonds5

About 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2942971) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2942971
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-13-7-5-12(6-8-13)14-10-19(21)20-16-11-18(23-3)17(22-2)9-15(14)16/h5-9,11,14H,4,10H2,1-3H3,(H,20,21)
InChIKeyCPTNENMTAHUBJQ-UHFFFAOYSA-N
XLogP3.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2942971) is 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is CCOc1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CPTNENMTAHUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-13-7-5-12(6-8-13)14-10-19(21)20-16-11-18(23-3)17(22-2)9-15(14)16/h5-9,11,14H,4,10H2,1-3H3,(H,20,21).
What are the key properties of 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2942971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).