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

C16H11ClINO — CID 11703927

IUPAC2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
SMILESCn1c(-c2ccc(Cl)cc2)c(I)c(=O)c2ccccc21
InChIInChI=1S/C16H11ClINO/c1-19-13-5-3-2-4-12(13)16(20)14(18)15(19)10-6-8-11(17)9-7-10/h2-9H,1H3
InChIKeyQBXSLJJVWRLNOI-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.46
Rot. Bonds1

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

2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one (PubChem CID 11703927) has the molecular formula C16H11ClINO and a molecular weight of 395.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
PubChem CID11703927
Molecular FormulaC16H11ClINO
Molecular Weight395.63 g/mol
Exact Mass394.96
IUPAC Name2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
SMILESCn1c(-c2ccc(Cl)cc2)c(I)c(=O)c2ccccc21
InChIInChI=1S/C16H11ClINO/c1-19-13-5-3-2-4-12(13)16(20)14(18)15(19)10-6-8-11(17)9-7-10/h2-9H,1H3
InChIKeyQBXSLJJVWRLNOI-UHFFFAOYSA-N
XLogP4.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.46
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

3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one
CID 68958008
6-chloro-4-(4-chlorophenyl)-3-iodo-1-methylquinolin-2-one
CID 132992766
11-iodobenzo[b][1]benzazepine-5,6-dione
CID 139448452
4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
CID 154491155
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
CID 102421670
2-(4-chlorophenyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one
CID 5237837
3-[2-(4-chlorophenyl)-1-methylindol-3-yl]-2-(2-hydroxyethyl)-3H-isoindol-1-one
CID 70680899
3-chloro-4-(1,3-dimethylindol-2-yl)cyclobut-3-ene-1,2-dione
CID 10730019
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
3-chloro-1-methyl-2-[4-(trifluoromethyl)phenyl]indole
CID 45113670
10-methyl-2-phenylacridin-9-one
CID 18533849

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one (CID 11703927) is 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one is Cn1c(-c2ccc(Cl)cc2)c(I)c(=O)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one?
The InChIKey is QBXSLJJVWRLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClINO/c1-19-13-5-3-2-4-12(13)16(20)14(18)15(19)10-6-8-11(17)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one?
2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one has a molecular weight of 395.63 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one is sourced from PubChem (CID 11703927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).