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

C12H13NO2 — CID 10241972

IUPAC7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCC(=O)c1ccc2c(c1)N(C=O)CCC2
InChIInChI=1S/C12H13NO2/c1-9(15)11-5-4-10-3-2-6-13(8-14)12(10)7-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyQLFLIAJHOGDGHG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.80
Rot. Bonds2

About 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde

7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde (PubChem CID 10241972) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
PubChem CID10241972
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCC(=O)c1ccc2c(c1)N(C=O)CCC2
InChIInChI=1S/C12H13NO2/c1-9(15)11-5-4-10-3-2-6-13(8-14)12(10)7-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyQLFLIAJHOGDGHG-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-(1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone
CID 102662224
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
CID 29275006
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
CID 89385300
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
1-[1-(2-chloroprop-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662516
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde (CID 10241972) is 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde is CC(=O)c1ccc2c(c1)N(C=O)CCC2.
What is the InChIKey of 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The InChIKey is QLFLIAJHOGDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(15)11-5-4-10-3-2-6-13(8-14)12(10)7-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3,4-dihydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 10241972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).