N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine

C26H30N2O2S — CID 18333060

IUPACN,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine
SMILESCN(C)CC1Cc2ccccc2N(S(=O)(=O)CCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C26H30N2O2S/c1-27(2)19-22-18-25-10-6-7-11-26(25)28(20-22)31(29,30)17-16-21-12-14-24(15-13-21)23-8-4-3-5-9-23/h3-15,22H,16-20H2,1-2H3
InChIKeyZQMINDKVMIBVEV-UHFFFAOYSA-N
MW434.61 g/mol
LogP4.47
Rot. Bonds7

About N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine

N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine (PubChem CID 18333060) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine
PubChem CID18333060
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine
SMILESCN(C)CC1Cc2ccccc2N(S(=O)(=O)CCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C26H30N2O2S/c1-27(2)19-22-18-25-10-6-7-11-26(25)28(20-22)31(29,30)17-16-21-12-14-24(15-13-21)23-8-4-3-5-9-23/h3-15,22H,16-20H2,1-2H3
InChIKeyZQMINDKVMIBVEV-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine 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 N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine (CID 18333060) is N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine is CN(C)CC1Cc2ccccc2N(S(=O)(=O)CCc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine?
The InChIKey is ZQMINDKVMIBVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-27(2)19-22-18-25-10-6-7-11-26(25)28(20-22)31(29,30)17-16-21-12-14-24(15-13-21)23-8-4-3-5-9-23/h3-15,22H,16-20H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine?
N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine has a molecular weight of 434.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-2H-quinolin-3-yl]methanamine is sourced from PubChem (CID 18333060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).