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

C15H14ClNO2 — CID 2997337

IUPAC4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H14ClNO2/c16-11-5-2-1-4-9(11)10-8-14(19)17-12-6-3-7-13(18)15(10)12/h1-2,4-5,10H,3,6-8H2,(H,17,19)
InChIKeyHYNXPNQARZFSFV-UHFFFAOYSA-N
MW275.73 g/mol
LogP2.95
Rot. Bonds1

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

4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 2997337) has the molecular formula C15H14ClNO2 and a molecular weight of 275.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID2997337
Molecular FormulaC15H14ClNO2
Molecular Weight275.73 g/mol
Exact Mass275.07
IUPAC Name4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H14ClNO2/c16-11-5-2-1-4-9(11)10-8-14(19)17-12-6-3-7-13(18)15(10)12/h1-2,4-5,10H,3,6-8H2,(H,17,19)
InChIKeyHYNXPNQARZFSFV-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-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 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 2997337) is 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccccc2Cl)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is HYNXPNQARZFSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-11-5-2-1-4-9(11)10-8-14(19)17-12-6-3-7-13(18)15(10)12/h1-2,4-5,10H,3,6-8H2,(H,17,19).
What are the key properties of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 275.73 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 2997337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).