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

C19H21NO5 — CID 2997284

IUPAC4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1cccc(OC)c1OC)CC(=O)N2
InChIInChI=1S/C19H21NO5/c1-22-11-8-14-18(16(9-11)24-3)13(10-17(21)20-14)12-6-5-7-15(23-2)19(12)25-4/h5-9,13H,10H2,1-4H3,(H,20,21)
InChIKeyJUSMSGUAKNNWEQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.20
Rot. Bonds5

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

4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2997284) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2997284
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1cccc(OC)c1OC)CC(=O)N2
InChIInChI=1S/C19H21NO5/c1-22-11-8-14-18(16(9-11)24-3)13(10-17(21)20-14)12-6-5-7-15(23-2)19(12)25-4/h5-9,13H,10H2,1-4H3,(H,20,21)
InChIKeyJUSMSGUAKNNWEQ-UHFFFAOYSA-N
XLogP3.20
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2997284) is 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(c1cccc(OC)c1OC)CC(=O)N2.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JUSMSGUAKNNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-11-8-14-18(16(9-11)24-3)13(10-17(21)20-14)12-6-5-7-15(23-2)19(12)25-4/h5-9,13H,10H2,1-4H3,(H,20,21).
What are the key properties of 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 343.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2997284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).