2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde

C15H14N2O — CID 115042593

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C15H14N2O/c18-11-12-7-8-16-15(10-12)17-9-3-5-13-4-1-2-6-14(13)17/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyXVVKZVSXLXJWIL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde

2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde (PubChem CID 115042593) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
PubChem CID115042593
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C15H14N2O/c18-11-12-7-8-16-15(10-12)17-9-3-5-13-4-1-2-6-14(13)17/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyXVVKZVSXLXJWIL-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
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-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 82120294
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574490
2-bromo-4-(3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 114060001
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112865154
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
CID 109170889
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]hydrazine
CID 82055128
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 102545834

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde (CID 115042593) is 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde is O=Cc1ccnc(N2CCCc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde?
The InChIKey is XVVKZVSXLXJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-11-12-7-8-16-15(10-12)17-9-3-5-13-4-1-2-6-14(13)17/h1-2,4,6-8,10-11H,3,5,9H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde?
2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde has a molecular weight of 238.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 115042593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).