N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine

C22H17FN2O2S — CID 26336142

IUPACN-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESFc1ccc(-c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)cc1
InChIInChI=1S/C22H17FN2O2S/c23-17-5-3-14(4-6-17)22-16(11-24-12-18-2-1-7-28-18)8-15-9-20-21(27-13-26-20)10-19(15)25-22/h1-10,24H,11-13H2
InChIKeyWTPVWCUNLJNANP-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.12
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine

N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine (PubChem CID 26336142) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
PubChem CID26336142
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC NameN-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
SMILESFc1ccc(-c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)cc1
InChIInChI=1S/C22H17FN2O2S/c23-17-5-3-14(4-6-17)22-16(11-24-12-18-2-1-7-28-18)8-15-9-20-21(27-13-26-20)10-19(15)25-22/h1-10,24H,11-13H2
InChIKeyWTPVWCUNLJNANP-UHFFFAOYSA-N
XLogP5.12
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine with MolForge

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Related Compounds

N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-phenylethanamine
CID 26337971
1-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 42276305
1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
CID 42480618
3-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylamino]propan-1-ol
CID 42398192
methyl 4-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]piperazine-1-carboxylate
CID 70752566
6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline
CID 50901206
N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 34750200
[(3aS,6aS)-2-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 70778330
N-[[2-(4-fluorophenyl)-6-methylquinolin-3-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 118758838
2,2-dimethyl-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]oxan-4-amine
CID 45235335
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43087581
N-[[2-(2,5-dimethoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 118755608

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine (CID 26336142) is N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine is Fc1ccc(-c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)cc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is WTPVWCUNLJNANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c23-17-5-3-14(4-6-17)22-16(11-24-12-18-2-1-7-28-18)8-15-9-20-21(27-13-26-20)10-19(15)25-22/h1-10,24H,11-13H2.
What are the key properties of N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine?
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 392.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 26336142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).