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

C23H22ClNO2 — CID 23773148

IUPAC4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(c2ccccc2Cl)C2=C1CCCC2=O
InChIInChI=1S/C23H22ClNO2/c1-14-7-5-8-15(2)23(14)25-19-11-6-12-20(26)22(19)17(13-21(25)27)16-9-3-4-10-18(16)24/h3-5,7-10,17H,6,11-13H2,1-2H3
InChIKeySRGYXYDWHSTWOG-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.48
Rot. Bonds2

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

4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23773148) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23773148
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(c2ccccc2Cl)C2=C1CCCC2=O
InChIInChI=1S/C23H22ClNO2/c1-14-7-5-8-15(2)23(14)25-19-11-6-12-20(26)22(19)17(13-21(25)27)16-9-3-4-10-18(16)24/h3-5,7-10,17H,6,11-13H2,1-2H3
InChIKeySRGYXYDWHSTWOG-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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Related Compounds

4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
1-(2,6-dimethylphenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802327
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
(4S)-4-(2-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266986
1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(2-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4597453
1-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23859455
4-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 4310327
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999014
4-(3-chlorophenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802296
(4R)-4-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266698
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
3-[4-(2,4-dichlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23802301

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23773148) is 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cccc(C)c1N1C(=O)CC(c2ccccc2Cl)C2=C1CCCC2=O.
What is the InChIKey of 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is SRGYXYDWHSTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-14-7-5-8-15(2)23(14)25-19-11-6-12-20(26)22(19)17(13-21(25)27)16-9-3-4-10-18(16)24/h3-5,7-10,17H,6,11-13H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2-chlorophenyl)-1-(2,6-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-(2-chlorophenyl)-1-(2,6-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23773148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).