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

C22H20ClNO2 — CID 17060664

IUPAC7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2Cl)C3)c1
InChIInChI=1S/C22H20ClNO2/c1-13-5-4-6-14(9-13)17-12-21(26)24-19-10-15(11-20(25)22(17)19)16-7-2-3-8-18(16)23/h2-9,15,17H,10-12H2,1H3,(H,24,26)
InChIKeyWITPDUBSAQNPLP-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.65
Rot. Bonds2

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

7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17060664) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17060664
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2Cl)C3)c1
InChIInChI=1S/C22H20ClNO2/c1-13-5-4-6-14(9-13)17-12-21(26)24-19-10-15(11-20(25)22(17)19)16-7-2-3-8-18(16)23/h2-9,15,17H,10-12H2,1H3,(H,24,26)
InChIKeyWITPDUBSAQNPLP-UHFFFAOYSA-N
XLogP4.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2-chlorophenyl)-4-(3-methylphenyl)-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

Related Compounds

5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3760084
4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17122372
9-(3-Chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 23223067
7-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17060660
N-[3-(2-chlorophenyl)-1,4-dioxonaphthalen-2-yl]acetamide
CID 44564346
9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 623286
4-(2-fluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 6621608
7-(2-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17122382
4-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312601
4-(3,4-dichlorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312602
4-(2-chlorophenyl)-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
CID 162664235
9-(2-Chlorophenyl)-3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-1,8(2H,5H)-acridinedione
CID 1002658

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17060664) is 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is Cc1cccc(C2CC(=O)NC3=C2C(=O)CC(c2ccccc2Cl)C3)c1.
What is the InChIKey of 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is WITPDUBSAQNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-13-5-4-6-14(9-13)17-12-21(26)24-19-10-15(11-20(25)22(17)19)16-7-2-3-8-18(16)23/h2-9,15,17H,10-12H2,1H3,(H,24,26).
What are the key properties of 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 365.86 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17060664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).