6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one

C16H10Cl2INO — CID 132992766

IUPAC6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one
SMILESCn1c(=O)c(I)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H10Cl2INO/c1-20-13-7-6-11(18)8-12(13)14(15(19)16(20)21)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyPDDHYSVIMRIMHZ-UHFFFAOYSA-N
MW430.07 g/mol
LogP5.12
Rot. Bonds1

About 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one

6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one (PubChem CID 132992766) has the molecular formula C16H10Cl2INO and a molecular weight of 430.07 g/mol. Its IUPAC name is 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one
PubChem CID132992766
Molecular FormulaC16H10Cl2INO
Molecular Weight430.07 g/mol
Exact Mass428.92
IUPAC Name6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one
SMILESCn1c(=O)c(I)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H10Cl2INO/c1-20-13-7-6-11(18)8-12(13)14(15(19)16(20)21)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyPDDHYSVIMRIMHZ-UHFFFAOYSA-N
XLogP5.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.07
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
6-chloro-3-(6-chloroindol-1-yl)-1-methyl-4-phenylquinolin-2-one
CID 134306095
2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
CID 11703927
(5-chloro-1-methyl-3-phenylindol-2-yl) hydrogen carbonate
CID 67802401
6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
CID 53348929
4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
CID 22058094
6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one
CID 3158329
6-bromo-3-iodo-1,4-dimethylquinolin-2-one
CID 146585096
7-(2-aminoethyl)-10-chloro-5-methylindolo[2,3-c]quinolin-6-one
CID 21445450
6-chloro-1-methyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262610
[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate
CID 174331834
3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]prop-2-ynoic acid
CID 70192072

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one?
The IUPAC name of 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one (CID 132992766) is 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one.
What is the SMILES notation for 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one?
The canonical SMILES for 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one is Cn1c(=O)c(I)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one?
The InChIKey is PDDHYSVIMRIMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2INO/c1-20-13-7-6-11(18)8-12(13)14(15(19)16(20)21)9-2-4-10(17)5-3-9/h2-8H,1H3.
What are the key properties of 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one?
6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one has a molecular weight of 430.07 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one is sourced from PubChem (CID 132992766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).