4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

C19H23NO5 — CID 3162447

IUPAC4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O
InChIInChI=1S/C19H23NO5/c1-19(2)8-12-17(13(21)9-19)11(7-16(22)20-12)10-5-14(24-3)18(23)15(6-10)25-4/h5-6,11,23H,7-9H2,1-4H3,(H,20,22)
InChIKeyXLTOSQBPCROTRY-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.66
Rot. Bonds3

About 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione

4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (PubChem CID 3162447) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
PubChem CID3162447
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O
InChIInChI=1S/C19H23NO5/c1-19(2)8-12-17(13(21)9-19)11(7-16(22)20-12)10-5-14(24-3)18(23)15(6-10)25-4/h5-6,11,23H,7-9H2,1-4H3,(H,20,22)
InChIKeyXLTOSQBPCROTRY-UHFFFAOYSA-N
XLogP2.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The IUPAC name of 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CID 3162447) is 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is COc1cc(C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
The InChIKey is XLTOSQBPCROTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-19(2)8-12-17(13(21)9-19)11(7-16(22)20-12)10-5-14(24-3)18(23)15(6-10)25-4/h5-6,11,23H,7-9H2,1-4H3,(H,20,22).
What are the key properties of 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione?
4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione has a molecular weight of 345.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 3162447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).