3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone

C19H21NO2 — CID 2182132

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-2-14-22-17-11-9-16(10-12-17)19(21)20-13-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-12H,2,5,7,13-14H2,1H3
InChIKeyLJAXEKPJRFAIDW-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.07
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone (PubChem CID 2182132) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
PubChem CID2182132
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21NO2/c1-2-14-22-17-11-9-16(10-12-17)19(21)20-13-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-12H,2,5,7,13-14H2,1H3
InChIKeyLJAXEKPJRFAIDW-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone (CID 2182132) is 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone?
The InChIKey is LJAXEKPJRFAIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-14-22-17-11-9-16(10-12-17)19(21)20-13-5-7-15-6-3-4-8-18(15)20/h3-4,6,8-12H,2,5,7,13-14H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone is sourced from PubChem (CID 2182132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).