6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde

C13H13NO3 — CID 12594754

IUPAC6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
SMILESCCOc1ccc2[nH]c(C)c(C=O)c(=O)c2c1
InChIInChI=1S/C13H13NO3/c1-3-17-9-4-5-12-10(6-9)13(16)11(7-15)8(2)14-12/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyPBOVDLDVHURFMH-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds3

About 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde

6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 12594754) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
PubChem CID12594754
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
SMILESCCOc1ccc2[nH]c(C)c(C=O)c(=O)c2c1
InChIInChI=1S/C13H13NO3/c1-3-17-9-4-5-12-10(6-9)13(16)11(7-15)8(2)14-12/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyPBOVDLDVHURFMH-UHFFFAOYSA-N
XLogP2.05
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
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

2,7-diethoxy-10H-acridin-9-one
CID 163923657
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
6-ethoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3252292
N-(7-ethoxy-9-oxo-10H-acridin-3-yl)formamide
CID 168651298
3-[[benzyl(methyl)amino]methyl]-6-ethoxy-2-methyl-1H-quinolin-4-one
CID 696542
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 98033002
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278453
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
7-ethoxy-4-methyl-1H-quinolin-2-one
CID 121226556
4-(bromomethyl)-6-ethoxy-1H-quinolin-2-one
CID 83665775
6-butoxy-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 82245502

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde (CID 12594754) is 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde is CCOc1ccc2[nH]c(C)c(C=O)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is PBOVDLDVHURFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-9-4-5-12-10(6-9)13(16)11(7-15)8(2)14-12/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde?
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 231.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 12594754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).