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

C23H22ClNO2 — CID 23802296

IUPAC4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2CCCC3=O)c1C
InChIInChI=1S/C23H22ClNO2/c1-14-6-3-9-19(15(14)2)25-20-10-5-11-21(26)23(20)18(13-22(25)27)16-7-4-8-17(24)12-16/h3-4,6-9,12,18H,5,10-11,13H2,1-2H3
InChIKeySBUYCMIMPCJGMU-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.48
Rot. Bonds2

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

4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23802296) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23802296
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2CCCC3=O)c1C
InChIInChI=1S/C23H22ClNO2/c1-14-6-3-9-19(15(14)2)25-20-10-5-11-21(26)23(20)18(13-22(25)27)16-7-4-8-17(24)12-16/h3-4,6-9,12,18H,5,10-11,13H2,1-2H3
InChIKeySBUYCMIMPCJGMU-UHFFFAOYSA-N
XLogP5.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23802296) is 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cccc(N2C(=O)CC(c3cccc(Cl)c3)C3=C2CCCC3=O)c1C.
What is the InChIKey of 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is SBUYCMIMPCJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-14-6-3-9-19(15(14)2)25-20-10-5-11-21(26)23(20)18(13-22(25)27)16-7-4-8-17(24)12-16/h3-4,6-9,12,18H,5,10-11,13H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 379.89 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23802296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).