3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline

C19H22N2O — CID 157192076

IUPAC3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline
SMILESO=CN1CCCc2ccccc21.c1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11NO.C9H11N/c12-8-11-7-3-5-9-4-1-2-6-10(9)11;1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,8H,3,5,7H2;1-2,4,6,10H,3,5,7H2
InChIKeyAPUVLNYJHDHSFX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.64
Rot. Bonds1

About 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline

3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline (PubChem CID 157192076) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline
PubChem CID157192076
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline
SMILESO=CN1CCCc2ccccc21.c1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11NO.C9H11N/c12-8-11-7-3-5-9-4-1-2-6-10(9)11;1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,8H,3,5,7H2;1-2,4,6,10H,3,5,7H2
InChIKeyAPUVLNYJHDHSFX-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 166454859
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 158071157
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
2,3-dihydroindol-1-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 43325624
propanedioic acid;1,2,3,4-tetrahydroquinoline
CID 66986458
1H-imidazole;1,2,3,4-tetrahydroquinoline
CID 174658972
morpholine;1,2,3,4-tetrahydroquinoline
CID 67874658
benzamide;1,2,3,4-tetrahydroquinoline
CID 68819505
2,3-dihydro-1H-indole;hydrobromide
CID 18680303
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline (CID 157192076) is 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline is O=CN1CCCc2ccccc21.c1ccc2c(c1)CCCN2.
What is the InChIKey of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline?
The InChIKey is APUVLNYJHDHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C9H11N/c12-8-11-7-3-5-9-4-1-2-6-10(9)11;1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,8H,3,5,7H2;1-2,4,6,10H,3,5,7H2.
What are the key properties of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline?
3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline has a molecular weight of 294.40 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157192076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).