1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

C17H17NO — CID 14155586

IUPAC1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCN1c2ccc(C=O)cc2CCC1c1ccccc1
InChIInChI=1S/C17H17NO/c1-18-16(14-5-3-2-4-6-14)10-8-15-11-13(12-19)7-9-17(15)18/h2-7,9,11-12,16H,8,10H2,1H3
InChIKeyXYWICYGXSYBXPQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.62
Rot. Bonds2

About 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (PubChem CID 14155586) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
PubChem CID14155586
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCN1c2ccc(C=O)cc2CCC1c1ccccc1
InChIInChI=1S/C17H17NO/c1-18-16(14-5-3-2-4-6-14)10-8-15-11-13(12-19)7-9-17(15)18/h2-7,9,11-12,16H,8,10H2,1H3
InChIKeyXYWICYGXSYBXPQ-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The IUPAC name of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (CID 14155586) is 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.
What is the SMILES notation for 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The canonical SMILES for 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is CN1c2ccc(C=O)cc2CCC1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The InChIKey is XYWICYGXSYBXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-18-16(14-5-3-2-4-6-14)10-8-15-11-13(12-19)7-9-17(15)18/h2-7,9,11-12,16H,8,10H2,1H3.
What are the key properties of 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is sourced from PubChem (CID 14155586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).