1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione

C19H21NO3 — CID 709712

IUPAC1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCOc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C19H21NO3/c1-12-9-16(21)18-15(10-19(2,3)11-17(18)22)20(12)13-5-7-14(23-4)8-6-13/h5-9H,10-11H2,1-4H3
InChIKeyYUHFXYGXLUQASP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.31
Rot. Bonds2

About 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione

1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione (PubChem CID 709712) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione
PubChem CID709712
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione
SMILESCOc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C19H21NO3/c1-12-9-16(21)18-15(10-19(2,3)11-17(18)22)20(12)13-5-7-14(23-4)8-6-13/h5-9H,10-11H2,1-4H3
InChIKeyYUHFXYGXLUQASP-UHFFFAOYSA-N
XLogP3.31
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione (CID 709712) is 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione is COc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione?
The InChIKey is YUHFXYGXLUQASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-9-16(21)18-15(10-19(2,3)11-17(18)22)20(12)13-5-7-14(23-4)8-6-13/h5-9H,10-11H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione?
1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione has a molecular weight of 311.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydroquinoline-4,5-dione is sourced from PubChem (CID 709712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).