1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde

C13H13NO2 — CID 18802182

IUPAC1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCCn1c(=O)c(C=O)cc2ccc(C)cc21
InChIInChI=1S/C13H13NO2/c1-3-14-12-6-9(2)4-5-10(12)7-11(8-15)13(14)16/h4-8H,3H2,1-2H3
InChIKeyRFJHSKDZLJKGGJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.14
Rot. Bonds2

About 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde

1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 18802182) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
PubChem CID18802182
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCCn1c(=O)c(C=O)cc2ccc(C)cc21
InChIInChI=1S/C13H13NO2/c1-3-14-12-6-9(2)4-5-10(12)7-11(8-15)13(14)16/h4-8H,3H2,1-2H3
InChIKeyRFJHSKDZLJKGGJ-UHFFFAOYSA-N
XLogP2.14
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-6-methylindol-2-yl)ethanamine
CID 117122696
2-(1-ethyl-6-methylindol-2-yl)propan-2-ol
CID 117122681
1-ethyl-2-(methoxymethyl)-6-methylindole
CID 117186050
1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83873436
7-cyclopentyloxy-1-(2-ethoxyethyl)-2-oxoquinoline-3-carbaldehyde
CID 143688002
1,3-diethyl-4-hydroxy-7-methylquinolin-2-one
CID 54703297
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
2-ethyl-4-methylbenzaldehyde
CID 58929233
7-methylnaphthalene-1-carbaldehyde
CID 15657410
6-methyl-1-propylquinolin-2-one
CID 122456070
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde (CID 18802182) is 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde is CCn1c(=O)c(C=O)cc2ccc(C)cc21.
What is the InChIKey of 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is RFJHSKDZLJKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-14-12-6-9(2)4-5-10(12)7-11(8-15)13(14)16/h4-8H,3H2,1-2H3.
What are the key properties of 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde?
1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 18802182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).