3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal

C13H17NO — CID 117291918

IUPAC3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal
SMILESCN1CCCc2cccc(CCC=O)c21
InChIInChI=1S/C13H17NO/c1-14-9-3-7-11-5-2-6-12(13(11)14)8-4-10-15/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyJUKWBHURIKMCIE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.20
Rot. Bonds3

About 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal

3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal (PubChem CID 117291918) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal.

Molecular Properties

Compound Name3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal
PubChem CID117291918
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal
SMILESCN1CCCc2cccc(CCC=O)c21
InChIInChI=1S/C13H17NO/c1-14-9-3-7-11-5-2-6-12(13(11)14)8-4-10-15/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyJUKWBHURIKMCIE-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.20
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

1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 84793933
8-ethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 127336057
1,8-diethyl-3,4-dihydro-2H-quinoline;methane
CID 145401425
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanal
CID 117368540
3-[4-[(1-butyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]-2-fluorophenyl]propanal
CID 89062958
3-[4-[(1-acetyl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]-2-fluorophenyl]propanal
CID 89063110
3-ethyl-5-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)pyridin-2-amine
CID 175711130
3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propanal
CID 117311200
3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)propanal
CID 59648425
3-[2-fluoro-4-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanal
CID 89063038
3-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]propanal
CID 117308217
3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
CID 89062923

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal?
The IUPAC name of 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal (CID 117291918) is 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal.
What is the SMILES notation for 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal?
The canonical SMILES for 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal is CN1CCCc2cccc(CCC=O)c21.
What is the InChIKey of 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal?
The InChIKey is JUKWBHURIKMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-9-3-7-11-5-2-6-12(13(11)14)8-4-10-15/h2,5-6,10H,3-4,7-9H2,1H3.
What are the key properties of 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal?
3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal has a molecular weight of 203.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,4-dihydro-2H-quinolin-8-yl)propanal is sourced from PubChem (CID 117291918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).