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

C24H21FN2O4 — CID 42485314

IUPACN-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2cc3cc4c(cc3nc2OCc2cccc(F)c2)OCO4)o1
InChIInChI=1S/C24H21FN2O4/c1-15-5-6-20(31-15)12-26-11-18-8-17-9-22-23(30-14-29-22)10-21(17)27-24(18)28-13-16-3-2-4-19(25)7-16/h2-10,26H,11-14H2,1H3
InChIKeyZDRYNACVSBFBMU-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.87
Rot. Bonds7

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

N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 42485314) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID42485314
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC NameN-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2cc3cc4c(cc3nc2OCc2cccc(F)c2)OCO4)o1
InChIInChI=1S/C24H21FN2O4/c1-15-5-6-20(31-15)12-26-11-18-8-17-9-22-23(30-14-29-22)10-21(17)27-24(18)28-13-16-3-2-4-19(25)7-16/h2-10,26H,11-14H2,1H3
InChIKeyZDRYNACVSBFBMU-UHFFFAOYSA-N
XLogP4.87
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine
CID 42433159
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 23072532
1-(1,4-dioxan-2-yl)-N-[[7-fluoro-2-(pyridin-3-ylmethoxy)quinolin-3-yl]methyl]methanamine
CID 56856076
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-thiophen-2-ylmethanamine
CID 26336142
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62524869
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 78921861
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
2-[(3-fluorophenyl)methoxy]-3-methylpyrazine
CID 126954248
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (CID 42485314) is N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2cc3cc4c(cc3nc2OCc2cccc(F)c2)OCO4)o1.
What is the InChIKey of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is ZDRYNACVSBFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-15-5-6-20(31-15)12-26-11-18-8-17-9-22-23(30-14-29-22)10-21(17)27-24(18)28-13-16-3-2-4-19(25)7-16/h2-10,26H,11-14H2,1H3.
What are the key properties of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 420.44 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 42485314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).