1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde

C13H15NO2 — CID 102567879

IUPAC1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
SMILESCC(=O)N1c2ccccc2C(C=O)CC1C
InChIInChI=1S/C13H15NO2/c1-9-7-11(8-15)12-5-3-4-6-13(12)14(9)10(2)16/h3-6,8-9,11H,7H2,1-2H3
InChIKeyMNXFDVWOMYLUIS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds1

About 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde

1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde (PubChem CID 102567879) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde.

Molecular Properties

Compound Name1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
PubChem CID102567879
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
SMILESCC(=O)N1c2ccccc2C(C=O)CC1C
InChIInChI=1S/C13H15NO2/c1-9-7-11(8-15)12-5-3-4-6-13(12)14(9)10(2)16/h3-6,8-9,11H,7H2,1-2H3
InChIKeyMNXFDVWOMYLUIS-UHFFFAOYSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 99981891
1-[2-methyl-4-(2-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253600
1-[4-(4-hydroxyphenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25254165
(E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 7592871
1-[4-(4-aminophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25254316
1-[4-(2-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182571
1-[4-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253689
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-[(2R,4S)-4-(3,5-dichloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 10269267
N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
1-[4-(3,5-dichloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182587
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 6581246

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The IUPAC name of 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde (CID 102567879) is 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde.
What is the SMILES notation for 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The canonical SMILES for 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde is CC(=O)N1c2ccccc2C(C=O)CC1C.
What is the InChIKey of 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
The InChIKey is MNXFDVWOMYLUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-7-11(8-15)12-5-3-4-6-13(12)14(9)10(2)16/h3-6,8-9,11H,7H2,1-2H3.
What are the key properties of 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde?
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde has a molecular weight of 217.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde is sourced from PubChem (CID 102567879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).