6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one

C16H12ClNO — CID 166443744

IUPAC6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
SMILESCc1ccc(-c2cc3cc(Cl)ccc3[nH]c2=O)cc1
InChIInChI=1S/C16H12ClNO/c1-10-2-4-11(5-3-10)14-9-12-8-13(17)6-7-15(12)18-16(14)19/h2-9H,1H3,(H,18,19)
InChIKeyARJXKNWWMHUBNJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.16
Rot. Bonds1

About 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one

6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one (PubChem CID 166443744) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
PubChem CID166443744
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
SMILESCc1ccc(-c2cc3cc(Cl)ccc3[nH]c2=O)cc1
InChIInChI=1S/C16H12ClNO/c1-10-2-4-11(5-3-10)14-9-12-8-13(17)6-7-15(12)18-16(14)19/h2-9H,1H3,(H,18,19)
InChIKeyARJXKNWWMHUBNJ-UHFFFAOYSA-N
XLogP4.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-quinolin-2-one
CID 943820
6-chloro-3-(2-chlorophenyl)-1H-quinolin-2-one
CID 175986365
6-chloro-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 171935666
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
7-chloro-1H-1-benzazepine-2,3-dione
CID 175535204
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
5,7-dimethyl-3-(4-methylphenyl)-1H-quinolin-2-one
CID 21135871
6-amino-3-phenyl-1H-quinolin-2-one
CID 118872239
2-(2,4-dichlorophenyl)-5-methyl-1H-indole
CID 131886780
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694477

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one (CID 166443744) is 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one is Cc1ccc(-c2cc3cc(Cl)ccc3[nH]c2=O)cc1.
What is the InChIKey of 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one?
The InChIKey is ARJXKNWWMHUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-10-2-4-11(5-3-10)14-9-12-8-13(17)6-7-15(12)18-16(14)19/h2-9H,1H3,(H,18,19).
What are the key properties of 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one?
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one has a molecular weight of 269.73 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 166443744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).