3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C35H37N3O — CID 15542917

IUPAC3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)N1CC(CN2CCN(c3ccccc3)CC2)Cc2ccccc21
InChIInChI=1S/C35H37N3O/c39-35(20-17-28-15-18-31(19-16-28)30-9-3-1-4-10-30)38-27-29(25-32-11-7-8-14-34(32)38)26-36-21-23-37(24-22-36)33-12-5-2-6-13-33/h1-16,18-19,29H,17,20-27H2
InChIKeyGSMHXHFZMMDEGV-UHFFFAOYSA-N
MW515.70 g/mol
LogP6.31
Rot. Bonds7

About 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 15542917) has the molecular formula C35H37N3O and a molecular weight of 515.70 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID15542917
Molecular FormulaC35H37N3O
Molecular Weight515.70 g/mol
Exact Mass515.29
IUPAC Name3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)N1CC(CN2CCN(c3ccccc3)CC2)Cc2ccccc21
InChIInChI=1S/C35H37N3O/c39-35(20-17-28-15-18-31(19-16-28)30-9-3-1-4-10-30)38-27-29(25-32-11-7-8-14-34(32)38)26-36-21-23-37(24-22-36)33-12-5-2-6-13-33/h1-16,18-19,29H,17,20-27H2
InChIKeyGSMHXHFZMMDEGV-UHFFFAOYSA-N
XLogP6.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one 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

3-(4-phenylphenyl)-1-[3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15542921
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
CID 70205812
1-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid
CID 57226311
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[2-(4-methylphenyl)phenyl]propan-1-one
CID 139836707
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 18333101
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 112534759
1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
CID 138995763
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902458
1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691292

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 15542917) is 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)N1CC(CN2CCN(c3ccccc3)CC2)Cc2ccccc21.
What is the InChIKey of 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is GSMHXHFZMMDEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O/c39-35(20-17-28-15-18-31(19-16-28)30-9-3-1-4-10-30)38-27-29(25-32-11-7-8-14-34(32)38)26-36-21-23-37(24-22-36)33-12-5-2-6-13-33/h1-16,18-19,29H,17,20-27H2.
What are the key properties of 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 515.70 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-1-[3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 15542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).