8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde

C13H13NO3 — CID 84626540

IUPAC8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCOc1cc(C)cc2c(C)c(C=O)c(=O)[nH]c12
InChIInChI=1S/C13H13NO3/c1-7-4-9-8(2)10(6-15)13(16)14-12(9)11(5-7)17-3/h4-6H,1-3H3,(H,14,16)
InChIKeyOMFYHEANTUMCRL-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.97
Rot. Bonds2

About 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde

8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 84626540) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID84626540
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCOc1cc(C)cc2c(C)c(C=O)c(=O)[nH]c12
InChIInChI=1S/C13H13NO3/c1-7-4-9-8(2)10(6-15)13(16)14-12(9)11(5-7)17-3/h4-6H,1-3H3,(H,14,16)
InChIKeyOMFYHEANTUMCRL-UHFFFAOYSA-N
XLogP1.97
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
4-methoxy-6-methyl-3H-1,3-benzothiazol-2-one
CID 123135032
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84637704
N-ethyl-2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 96675406
(E)-3-(7-methoxy-5-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82495371
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
3-hydroxy-5-methoxy-4-methylphthalaldehyde
CID 86129442

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde (CID 84626540) is 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde is COc1cc(C)cc2c(C)c(C=O)c(=O)[nH]c12.
What is the InChIKey of 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is OMFYHEANTUMCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7-4-9-8(2)10(6-15)13(16)14-12(9)11(5-7)17-3/h4-6H,1-3H3,(H,14,16).
What are the key properties of 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde?
8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 231.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,6-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 84626540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).