N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C23H19F3N2OS — CID 42167773

IUPACN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H19F3N2OS/c1-29-20-7-4-16-10-18(22(28-21(16)11-20)17-8-9-30-14-17)13-27-12-15-2-5-19(6-3-15)23(24,25)26/h2-11,14,27H,12-13H2,1H3
InChIKeyMIZHUZUKUULFCK-UHFFFAOYSA-N
MW428.48 g/mol
LogP6.28
Rot. Bonds6

About N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 42167773) has the molecular formula C23H19F3N2OS and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID42167773
Molecular FormulaC23H19F3N2OS
Molecular Weight428.48 g/mol
Exact Mass428.12
IUPAC NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H19F3N2OS/c1-29-20-7-4-16-10-18(22(28-21(16)11-20)17-8-9-30-14-17)13-27-12-15-2-5-19(6-3-15)23(24,25)26/h2-11,14,27H,12-13H2,1H3
InChIKeyMIZHUZUKUULFCK-UHFFFAOYSA-N
XLogP6.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine 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

7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
CID 59804087
N-[(2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 24969792
1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
CID 89248377
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883
2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
CID 26347940
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
N-[(1,3-dimethyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 25217128
3-methanimidoyl-N-propan-2-yl-6-thiophen-3-yl-5-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-2-amine
CID 143938591
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
N-[(1-propan-2-yl-6-thiophen-3-ylindazol-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 171343898
N-[2-(4-chlorophenyl)ethyl]-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanesulfonamide
CID 24969871
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 42167773) is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is COc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MIZHUZUKUULFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2OS/c1-29-20-7-4-16-10-18(22(28-21(16)11-20)17-8-9-30-14-17)13-27-12-15-2-5-19(6-3-15)23(24,25)26/h2-11,14,27H,12-13H2,1H3.
What are the key properties of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 428.48 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 42167773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).