4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

C17H15Cl2NO — CID 15989737

IUPAC4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1C)NC(=O)CC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-9-3-5-13-14(8-16(21)20-17(13)10(9)2)12-6-4-11(18)7-15(12)19/h3-7,14H,8H2,1-2H3,(H,20,21)
InChIKeyTVQVUPQXBLWWGH-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.08
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 15989737) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID15989737
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1C)NC(=O)CC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-9-3-5-13-14(8-16(21)20-17(13)10(9)2)12-6-4-11(18)7-15(12)19/h3-7,14H,8H2,1-2H3,(H,20,21)
InChIKeyTVQVUPQXBLWWGH-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 15989737) is 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1ccc2c(c1C)NC(=O)CC2c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TVQVUPQXBLWWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-9-3-5-13-14(8-16(21)20-17(13)10(9)2)12-6-4-11(18)7-15(12)19/h3-7,14H,8H2,1-2H3,(H,20,21).
What are the key properties of 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 320.22 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 15989737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).