4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C20H23NO6 — CID 3238375

IUPAC4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1
InChIInChI=1S/C20H23NO6/c1-23-11-6-7-15(24-2)12(8-11)13-9-17(22)21-14-10-16(25-3)19(26-4)20(27-5)18(13)14/h6-8,10,13H,9H2,1-5H3,(H,21,22)
InChIKeySPPYGMPMDGRRKQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.20
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3238375) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID3238375
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1
InChIInChI=1S/C20H23NO6/c1-23-11-6-7-15(24-2)12(8-11)13-9-17(22)21-14-10-16(25-3)19(26-4)20(27-5)18(13)14/h6-8,10,13H,9H2,1-5H3,(H,21,22)
InChIKeySPPYGMPMDGRRKQ-UHFFFAOYSA-N
XLogP3.20
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 3238375) is 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SPPYGMPMDGRRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-23-11-6-7-15(24-2)12(8-11)13-9-17(22)21-14-10-16(25-3)19(26-4)20(27-5)18(13)14/h6-8,10,13H,9H2,1-5H3,(H,21,22).
What are the key properties of 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 373.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3238375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).