1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline

C26H29NO — CID 3782971

IUPAC1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCCOC(CCN1CCC(c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H29NO/c1-2-28-26(22-13-7-4-8-14-22)18-20-27-19-17-23(21-11-5-3-6-12-21)24-15-9-10-16-25(24)27/h3-16,23,26H,2,17-20H2,1H3
InChIKeyHDTANGUIKZXEPB-UHFFFAOYSA-N
MW371.52 g/mol
LogP6.20
Rot. Bonds7

About 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline

1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline (PubChem CID 3782971) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline
PubChem CID3782971
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCCOC(CCN1CCC(c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H29NO/c1-2-28-26(22-13-7-4-8-14-22)18-20-27-19-17-23(21-11-5-3-6-12-21)24-15-9-10-16-25(24)27/h3-16,23,26H,2,17-20H2,1H3
InChIKeyHDTANGUIKZXEPB-UHFFFAOYSA-N
XLogP6.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 38988807
[2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylethyl] acetate
CID 21408045
2-[1-[2-(5-phenyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]piperidin-4-yl]ethyl propanoate
CID 10274589
3-(3-phenyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 154295014
(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid
CID 166366691
1-ethoxydecylbenzene
CID 71423896
1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-4-amine
CID 83153620
N-ethyl-1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-4-amine
CID 104646717
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 106454791
2-ethoxy-2-phenylethanethiol
CID 151400804
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578144

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline (CID 3782971) is 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline is CCOC(CCN1CCC(c2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline?
The InChIKey is HDTANGUIKZXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-2-28-26(22-13-7-4-8-14-22)18-20-27-19-17-23(21-11-5-3-6-12-21)24-15-9-10-16-25(24)27/h3-16,23,26H,2,17-20H2,1H3.
What are the key properties of 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline?
1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline has a molecular weight of 371.52 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3782971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).