3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione

C16H12Cl2N2O2 — CID 68819345

IUPAC3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
SMILESCC1(c2cccc(N)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C16H12Cl2N2O2/c1-16(8-3-2-4-10(19)5-8)14(21)13-11(18)6-9(17)7-12(13)20-15(16)22/h2-7H,19H2,1H3,(H,20,22)
InChIKeyYSBPLJFVARHEQG-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.67
Rot. Bonds1

About 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione

3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione (PubChem CID 68819345) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
PubChem CID68819345
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
SMILESCC1(c2cccc(N)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C16H12Cl2N2O2/c1-16(8-3-2-4-10(19)5-8)14(21)13-11(18)6-9(17)7-12(13)20-15(16)22/h2-7H,19H2,1H3,(H,20,22)
InChIKeyYSBPLJFVARHEQG-UHFFFAOYSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
CID 11560362
5,7-dichloro-3-methyl-3-(3-phenylmethoxyphenyl)-1H-quinoline-2,4-dione
CID 11575479
5,7-dichloro-3-[4-(dimethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
CID 11501432
(3S)-4-chloro-3-(3-chlorophenyl)-3,6-dimethyl-1H-indol-2-one
CID 178002965
2-chloro-5-(3-fluorophenyl)-3-(4-fluorophenyl)-5-methyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297633
1-(3-aminophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 14068945
7-chloro-3-methyl-3-(4-nitrophenyl)-1H-quinoline-2,4-dione
CID 11616901
7-(3-aminophenyl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 116995080
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
2-chloro-3-(2-fluorophenyl)-5-methyl-5-(3-methylphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 71269789
2-chloro-3-(4-fluorophenyl)-5-methyl-5-(3-methylsulfonylphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53303327
(1R,5S)-6-(3-aminophenyl)-3,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 58634076

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione (CID 68819345) is 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione is CC1(c2cccc(N)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O.
What is the InChIKey of 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
The InChIKey is YSBPLJFVARHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-16(8-3-2-4-10(19)5-8)14(21)13-11(18)6-9(17)7-12(13)20-15(16)22/h2-7H,19H2,1H3,(H,20,22).
What are the key properties of 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione?
3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione has a molecular weight of 335.19 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 68819345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).