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

C23H21FN2OS — CID 31016911

IUPACN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cc2ccc(F)cc2nc1-c1ccsc1
InChIInChI=1S/C23H21FN2OS/c1-27-22-5-3-2-4-16(22)8-10-25-14-19-12-17-6-7-20(24)13-21(17)26-23(19)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3
InChIKeyJLHAEMOXSVBUDJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.44
Rot. Bonds7

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

N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 31016911) 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-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID31016911
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC NameN-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cc2ccc(F)cc2nc1-c1ccsc1
InChIInChI=1S/C23H21FN2OS/c1-27-22-5-3-2-4-16(22)8-10-25-14-19-12-17-6-7-20(24)13-21(17)26-23(19)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3
InChIKeyJLHAEMOXSVBUDJ-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'}

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Related Compounds

N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
N-[(4-chlorothiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 107165782
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine
CID 118758168
2-(2-methoxyphenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273016

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine (CID 31016911) is N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1cc2ccc(F)cc2nc1-c1ccsc1.
What is the InChIKey of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is JLHAEMOXSVBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2OS/c1-27-22-5-3-2-4-16(22)8-10-25-14-19-12-17-6-7-20(24)13-21(17)26-23(19)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3.
What are the key properties of N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine?
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-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-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 31016911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).