7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C22H20ClNO4 — CID 17060658

IUPAC7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2Cl)C3)ccc1O
InChIInChI=1S/C22H20ClNO4/c1-28-20-10-12(6-7-18(20)25)15-11-21(27)24-17-8-13(9-19(26)22(15)17)14-4-2-3-5-16(14)23/h2-7,10,13,15,25H,8-9,11H2,1H3,(H,24,27)
InChIKeyUKRITWHCNYLXJT-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.06
Rot. Bonds3

About 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17060658) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17060658
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC Name7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCOc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2Cl)C3)ccc1O
InChIInChI=1S/C22H20ClNO4/c1-28-20-10-12(6-7-18(20)25)15-11-21(27)24-17-8-13(9-19(26)22(15)17)14-4-2-3-5-16(14)23/h2-7,10,13,15,25H,8-9,11H2,1H3,(H,24,27)
InChIKeyUKRITWHCNYLXJT-UHFFFAOYSA-N
XLogP4.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-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 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17060658) is 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is COc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2Cl)C3)ccc1O.
What is the InChIKey of 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is UKRITWHCNYLXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-28-20-10-12(6-7-18(20)25)15-11-21(27)24-17-8-13(9-19(26)22(15)17)14-4-2-3-5-16(14)23/h2-7,10,13,15,25H,8-9,11H2,1H3,(H,24,27).
What are the key properties of 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 397.86 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).