3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one

C12H10INO2 — CID 171365735

IUPAC3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
SMILESCC(=O)c1c(C)[nH]c2ccc(I)cc2c1=O
InChIInChI=1S/C12H10INO2/c1-6-11(7(2)15)12(16)9-5-8(13)3-4-10(9)14-6/h3-5H,1-2H3,(H,14,16)
InChIKeyLPUYFFGISWLEBQ-UHFFFAOYSA-N
MW327.12 g/mol
LogP2.64
Rot. Bonds1

About 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one

3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one (PubChem CID 171365735) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
PubChem CID171365735
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC Name3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
SMILESCC(=O)c1c(C)[nH]c2ccc(I)cc2c1=O
InChIInChI=1S/C12H10INO2/c1-6-11(7(2)15)12(16)9-5-8(13)3-4-10(9)14-6/h3-5H,1-2H3,(H,14,16)
InChIKeyLPUYFFGISWLEBQ-UHFFFAOYSA-N
XLogP2.64
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
2-iodo-5-methyl-10H-acridin-9-one
CID 59228699
ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
CID 86731085
(E)-3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CID 46739161
3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CID 53411520
ethyl 6-iodo-3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 138973630
4,4-bis(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 134840474
6-chloro-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-methyl-1H-quinolin-4-one
CID 5376224
propan-2-yl 3-iodo-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 102537551

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one (CID 171365735) is 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one is CC(=O)c1c(C)[nH]c2ccc(I)cc2c1=O.
What is the InChIKey of 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one?
The InChIKey is LPUYFFGISWLEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c1-6-11(7(2)15)12(16)9-5-8(13)3-4-10(9)14-6/h3-5H,1-2H3,(H,14,16).
What are the key properties of 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one?
3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one has a molecular weight of 327.12 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 171365735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).