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

C19H21NO — CID 62277904

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
SMILESCC(C=O)(CN1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H21NO/c1-19(15-21,17-10-3-2-4-11-17)14-20-13-7-9-16-8-5-6-12-18(16)20/h2-6,8,10-12,15H,7,9,13-14H2,1H3
InChIKeySRMAFCQJTZRDDB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.60
Rot. Bonds4

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

3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal (PubChem CID 62277904) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
PubChem CID62277904
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal
SMILESCC(C=O)(CN1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H21NO/c1-19(15-21,17-10-3-2-4-11-17)14-20-13-7-9-16-8-5-6-12-18(16)20/h2-6,8,10-12,15H,7,9,13-14H2,1H3
InChIKeySRMAFCQJTZRDDB-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.60
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 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal (CID 62277904) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal is CC(C=O)(CN1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal?
The InChIKey is SRMAFCQJTZRDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(15-21,17-10-3-2-4-11-17)14-20-13-7-9-16-8-5-6-12-18(16)20/h2-6,8,10-12,15H,7,9,13-14H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal?
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal has a molecular weight of 279.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropanal is sourced from PubChem (CID 62277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).