N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine

C23H21FN2OS — CID 29085678

IUPACN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2cc3ccc(F)cc3nc2-c2ccsc2)c1
InChIInChI=1S/C23H21FN2OS/c1-27-21-4-2-3-16(11-21)7-9-25-14-19-12-17-5-6-20(24)13-22(17)26-23(19)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3
InChIKeyJVARDMSYQDTRKJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.44
Rot. Bonds7

About N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine

N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 29085678) has the molecular formula C23H21FN2OS and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
PubChem CID29085678
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC NameN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2cc3ccc(F)cc3nc2-c2ccsc2)c1
InChIInChI=1S/C23H21FN2OS/c1-27-21-4-2-3-16(11-21)7-9-25-14-19-12-17-5-6-20(24)13-22(17)26-23(19)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3
InChIKeyJVARDMSYQDTRKJ-UHFFFAOYSA-N
XLogP5.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine 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

N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
CID 26347940
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
CID 56853829
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
CID 25292365
1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
CID 25465196
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 104878638
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]methanamine
CID 42359710
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine (CID 29085678) is N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine is COc1cccc(CCNCc2cc3ccc(F)cc3nc2-c2ccsc2)c1.
What is the InChIKey of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is JVARDMSYQDTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OS/c1-27-21-4-2-3-16(11-21)7-9-25-14-19-12-17-5-6-20(24)13-22(17)26-23(19)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3.
What are the key properties of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine?
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 392.50 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 29085678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).