7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine

C18H15FN2O3 — CID 69158682

IUPAC7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine
SMILESCOc1cccc(F)c1Cc1cnc2c3c(ccc2c1N)OCO3
InChIInChI=1S/C18H15FN2O3/c1-22-14-4-2-3-13(19)12(14)7-10-8-21-17-11(16(10)20)5-6-15-18(17)24-9-23-15/h2-6,8H,7,9H2,1H3,(H2,20,21)
InChIKeyGRGYWSPVFYSTCJ-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.28
Rot. Bonds3

About 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine

7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine (PubChem CID 69158682) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine.

Molecular Properties

Compound Name7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine
PubChem CID69158682
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine
SMILESCOc1cccc(F)c1Cc1cnc2c3c(ccc2c1N)OCO3
InChIInChI=1S/C18H15FN2O3/c1-22-14-4-2-3-13(19)12(14)7-10-8-21-17-11(16(10)20)5-6-15-18(17)24-9-23-15/h2-6,8H,7,9H2,1H3,(H2,20,21)
InChIKeyGRGYWSPVFYSTCJ-UHFFFAOYSA-N
XLogP3.28
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine?
The IUPAC name of 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine (CID 69158682) is 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine.
What is the SMILES notation for 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine?
The canonical SMILES for 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine is COc1cccc(F)c1Cc1cnc2c3c(ccc2c1N)OCO3.
What is the InChIKey of 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine?
The InChIKey is GRGYWSPVFYSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-22-14-4-2-3-13(19)12(14)7-10-8-21-17-11(16(10)20)5-6-15-18(17)24-9-23-15/h2-6,8H,7,9H2,1H3,(H2,20,21).
What are the key properties of 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine?
7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine has a molecular weight of 326.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-6-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-h]quinolin-6-amine is sourced from PubChem (CID 69158682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).