6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one

C17H12F2INO2 — CID 134106081

IUPAC6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cc(F)ccc2N1C(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C17H12F2INO2/c1-9-6-16(22)12-8-11(18)3-5-15(12)21(9)17(23)10-2-4-14(20)13(19)7-10/h2-5,7-9H,6H2,1H3
InChIKeyYQKWKLLCPGEZPH-UHFFFAOYSA-N
MW427.19 g/mol
LogP4.19
Rot. Bonds1

About 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one

6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one (PubChem CID 134106081) has the molecular formula C17H12F2INO2 and a molecular weight of 427.19 g/mol. Its IUPAC name is 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
PubChem CID134106081
Molecular FormulaC17H12F2INO2
Molecular Weight427.19 g/mol
Exact Mass426.99
IUPAC Name6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cc(F)ccc2N1C(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C17H12F2INO2/c1-9-6-16(22)12-8-11(18)3-5-15(12)21(9)17(23)10-2-4-14(20)13(19)7-10/h2-5,7-9H,6H2,1H3
InChIKeyYQKWKLLCPGEZPH-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.19
LogP ≤ 54.19
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

1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134103977
6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134094154
6-fluoro-1-(3-fluoro-4-nitrobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134101831
1-acetyl-2-methyl-4-oxo-2,3-dihydroquinoline-6-carboxylic acid
CID 90293354
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
CID 171984661
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134125548
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-nitrophenyl)methanone
CID 134094161
ethane;2-methyl-1-(4-phenoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 142989768
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134125542

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one (CID 134106081) is 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one is CC1CC(=O)c2cc(F)ccc2N1C(=O)c1ccc(I)c(F)c1.
What is the InChIKey of 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is YQKWKLLCPGEZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2INO2/c1-9-6-16(22)12-8-11(18)3-5-15(12)21(9)17(23)10-2-4-14(20)13(19)7-10/h2-5,7-9H,6H2,1H3.
What are the key properties of 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 427.19 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).