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

C19H21NO6 — CID 3334197

IUPAC4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)CC(=O)N2
InChIInChI=1S/C19H21NO6/c1-23-14-7-12-11(8-18(21)20-13(12)9-15(14)24-2)10-5-16(25-3)19(22)17(6-10)26-4/h5-7,9,11,22H,8H2,1-4H3,(H,20,21)
InChIKeyYFYBVHBZSZFSAN-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds5

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

4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3334197) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID3334197
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)CC(=O)N2
InChIInChI=1S/C19H21NO6/c1-23-14-7-12-11(8-18(21)20-13(12)9-15(14)24-2)10-5-16(25-3)19(22)17(6-10)26-4/h5-7,9,11,22H,8H2,1-4H3,(H,20,21)
InChIKeyYFYBVHBZSZFSAN-UHFFFAOYSA-N
XLogP2.90
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 3334197) is 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)CC(=O)N2.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YFYBVHBZSZFSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-23-14-7-12-11(8-18(21)20-13(12)9-15(14)24-2)10-5-16(25-3)19(22)17(6-10)26-4/h5-7,9,11,22H,8H2,1-4H3,(H,20,21).
What are the key properties of 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 359.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3334197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).