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

C25H27NO4 — CID 6496703

IUPAC4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)CCC3)c(OC)c1
InChIInChI=1S/C25H27NO4/c1-15-10-16(2)12-17(11-15)26-21-6-5-7-22(27)25(21)20(14-24(26)28)19-9-8-18(29-3)13-23(19)30-4/h8-13,20H,5-7,14H2,1-4H3
InChIKeyDHULOYCMBDBVIP-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.85
Rot. Bonds4

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

4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 6496703) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID6496703
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)CCC3)c(OC)c1
InChIInChI=1S/C25H27NO4/c1-15-10-16(2)12-17(11-15)26-21-6-5-7-22(27)25(21)20(14-24(26)28)19-9-8-18(29-3)13-23(19)30-4/h8-13,20H,5-7,14H2,1-4H3
InChIKeyDHULOYCMBDBVIP-UHFFFAOYSA-N
XLogP4.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 6496703) is 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1ccc(C2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)CCC3)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is DHULOYCMBDBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-15-10-16(2)12-17(11-15)26-21-6-5-7-22(27)25(21)20(14-24(26)28)19-9-8-18(29-3)13-23(19)30-4/h8-13,20H,5-7,14H2,1-4H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 405.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 6496703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).