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

C17H14INO2 — CID 63096091

IUPAC6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)c3ccccc3I)ccc21
InChIInChI=1S/C17H14INO2/c1-19-15-8-6-12(10-11(15)7-9-16(19)20)17(21)13-4-2-3-5-14(13)18/h2-6,8,10H,7,9H2,1H3
InChIKeyJGYPKJVOQYIPSX-UHFFFAOYSA-N
MW391.21 g/mol
LogP3.43
Rot. Bonds2

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

6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63096091) has the molecular formula C17H14INO2 and a molecular weight of 391.21 g/mol. Its IUPAC name is 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63096091
Molecular FormulaC17H14INO2
Molecular Weight391.21 g/mol
Exact Mass391.01
IUPAC Name6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)c3ccccc3I)ccc21
InChIInChI=1S/C17H14INO2/c1-19-15-8-6-12(10-11(15)7-9-16(19)20)17(21)13-4-2-3-5-14(13)18/h2-6,8,10H,7,9H2,1H3
InChIKeyJGYPKJVOQYIPSX-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.43
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

6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 107960022
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 63097473
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659
6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63796681
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-oxobut-2-enoic acid
CID 77054964
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63096091) is 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(=O)c3ccccc3I)ccc21.
What is the InChIKey of 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is JGYPKJVOQYIPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO2/c1-19-15-8-6-12(10-11(15)7-9-16(19)20)17(21)13-4-2-3-5-14(13)18/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 391.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63096091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).