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

C27H25NO5 — CID 23971155

IUPAC1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccco3)C3=C2CC(c2ccccc2)CC3=O)c1
InChIInChI=1S/C27H25NO5/c1-31-20-13-19(14-21(15-20)32-2)28-23-11-18(17-7-4-3-5-8-17)12-24(29)27(23)22(16-26(28)30)25-9-6-10-33-25/h3-10,13-15,18,22H,11-12,16H2,1-2H3
InChIKeyVPHBPNMKOPPXQR-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.22
Rot. Bonds5

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

1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23971155) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23971155
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)CC(c3ccco3)C3=C2CC(c2ccccc2)CC3=O)c1
InChIInChI=1S/C27H25NO5/c1-31-20-13-19(14-21(15-20)32-2)28-23-11-18(17-7-4-3-5-8-17)12-24(29)27(23)22(16-26(28)30)25-9-6-10-33-25/h3-10,13-15,18,22H,11-12,16H2,1-2H3
InChIKeyVPHBPNMKOPPXQR-UHFFFAOYSA-N
XLogP5.22
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-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-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23971155) is 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cc(OC)cc(N2C(=O)CC(c3ccco3)C3=C2CC(c2ccccc2)CC3=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is VPHBPNMKOPPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-31-20-13-19(14-21(15-20)32-2)28-23-11-18(17-7-4-3-5-8-17)12-24(29)27(23)22(16-26(28)30)25-9-6-10-33-25/h3-10,13-15,18,22H,11-12,16H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 443.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23971155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).