2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine

C20H22FN3O — CID 67486575

IUPAC2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
SMILESCCN1CC2=C(C1)C(N)c1ccc(F)c(-c3ccccc3OC)c1N2
InChIInChI=1S/C20H22FN3O/c1-3-24-10-14-16(11-24)23-20-13(19(14)22)8-9-15(21)18(20)12-6-4-5-7-17(12)25-2/h4-9,19,23H,3,10-11,22H2,1-2H3
InChIKeyMWKFKRSTDZCEKF-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.52
Rot. Bonds3

About 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine

2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine (PubChem CID 67486575) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine.

Molecular Properties

Compound Name2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
PubChem CID67486575
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
SMILESCCN1CC2=C(C1)C(N)c1ccc(F)c(-c3ccccc3OC)c1N2
InChIInChI=1S/C20H22FN3O/c1-3-24-10-14-16(11-24)23-20-13(19(14)22)8-9-15(21)18(20)12-6-4-5-7-17(12)25-2/h4-9,19,23H,3,10-11,22H2,1-2H3
InChIKeyMWKFKRSTDZCEKF-UHFFFAOYSA-N
XLogP3.52
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The IUPAC name of 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine (CID 67486575) is 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine.
What is the SMILES notation for 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The canonical SMILES for 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine is CCN1CC2=C(C1)C(N)c1ccc(F)c(-c3ccccc3OC)c1N2.
What is the InChIKey of 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The InChIKey is MWKFKRSTDZCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-3-24-10-14-16(11-24)23-20-13(19(14)22)8-9-15(21)18(20)12-6-4-5-7-17(12)25-2/h4-9,19,23H,3,10-11,22H2,1-2H3.
What are the key properties of 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine has a molecular weight of 339.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine is sourced from PubChem (CID 67486575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).