1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde

C19H18N2O2 — CID 54114540

IUPAC1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESO=CC1CCc2ccccc2N1C(=O)C1CNc2ccccc21
InChIInChI=1S/C19H18N2O2/c22-12-14-10-9-13-5-1-4-8-18(13)21(14)19(23)16-11-20-17-7-3-2-6-15(16)17/h1-8,12,14,16,20H,9-11H2
InChIKeyORNZOOYATVWBNV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde

1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde (PubChem CID 54114540) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde
PubChem CID54114540
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde
SMILESO=CC1CCc2ccccc2N1C(=O)C1CNc2ccccc21
InChIInChI=1S/C19H18N2O2/c22-12-14-10-9-13-5-1-4-8-18(13)21(14)19(23)16-11-20-17-7-3-2-6-15(16)17/h1-8,12,14,16,20H,9-11H2
InChIKeyORNZOOYATVWBNV-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The IUPAC name of 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde (CID 54114540) is 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde.
What is the SMILES notation for 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The canonical SMILES for 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde is O=CC1CCc2ccccc2N1C(=O)C1CNc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde?
The InChIKey is ORNZOOYATVWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-12-14-10-9-13-5-1-4-8-18(13)21(14)19(23)16-11-20-17-7-3-2-6-15(16)17/h1-8,12,14,16,20H,9-11H2.
What are the key properties of 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde?
1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde has a molecular weight of 306.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indole-3-carbonyl)-3,4-dihydro-2H-quinoline-2-carbaldehyde is sourced from PubChem (CID 54114540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).