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

C22H17FN2O2S — CID 42480618

IUPAC1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
SMILESFc1ccccc1CNCc1cc2cc3c(cc2nc1-c1ccsc1)OCO3
InChIInChI=1S/C22H17FN2O2S/c23-18-4-2-1-3-14(18)10-24-11-17-7-16-8-20-21(27-13-26-20)9-19(16)25-22(17)15-5-6-28-12-15/h1-9,12,24H,10-11,13H2
InChIKeyBMULNQALJNARGF-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.12
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine (PubChem CID 42480618) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
PubChem CID42480618
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
SMILESFc1ccccc1CNCc1cc2cc3c(cc2nc1-c1ccsc1)OCO3
InChIInChI=1S/C22H17FN2O2S/c23-18-4-2-1-3-14(18)10-24-11-17-7-16-8-20-21(27-13-26-20)9-19(16)25-22(17)15-5-6-28-12-15/h1-9,12,24H,10-11,13H2
InChIKeyBMULNQALJNARGF-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 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine with MolForge

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Related Compounds

3-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylamino]propan-1-ol
CID 42398192
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
2,2-dimethyl-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]oxan-4-amine
CID 45235335
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
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
N-[(2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 24969792
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
CID 25292365
8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 71891221
N-[(2-thiophen-3-yl-1,8-naphthyridin-3-yl)methyl]ethanamine
CID 143938589
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine (CID 42480618) is 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine is Fc1ccccc1CNCc1cc2cc3c(cc2nc1-c1ccsc1)OCO3.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
The InChIKey is BMULNQALJNARGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c23-18-4-2-1-3-14(18)10-24-11-17-7-16-8-20-21(27-13-26-20)9-19(16)25-22(17)15-5-6-28-12-15/h1-9,12,24H,10-11,13H2.
What are the key properties of 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine?
1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine 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 1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine is sourced from PubChem (CID 42480618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).