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

C20H22FN3O — CID 67486212

IUPAC2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
SMILESCCN1CC2=C(C1)C(N)c1cccc(-c3cccc(OC)c3F)c1N2
InChIInChI=1S/C20H22FN3O/c1-3-24-10-15-16(11-24)23-20-13(7-4-8-14(20)19(15)22)12-6-5-9-17(25-2)18(12)21/h4-9,19,23H,3,10-11,22H2,1-2H3
InChIKeyDFBYLQZKVOKUTR-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.52
Rot. Bonds3

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

2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine (PubChem CID 67486212) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine.

Molecular Properties

Compound Name2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
PubChem CID67486212
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
SMILESCCN1CC2=C(C1)C(N)c1cccc(-c3cccc(OC)c3F)c1N2
InChIInChI=1S/C20H22FN3O/c1-3-24-10-15-16(11-24)23-20-13(7-4-8-14(20)19(15)22)12-6-5-9-17(25-2)18(12)21/h4-9,19,23H,3,10-11,22H2,1-2H3
InChIKeyDFBYLQZKVOKUTR-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

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

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Related Compounds

2-ethyl-6-fluoro-5-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
CID 67486575
2-cyclobutyl-5-(2,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine
CID 67486191
1-ethyl-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 165495433
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
CID 83262312
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453903
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
[1-(4-ethylmorpholin-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105247747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The IUPAC name of 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine (CID 67486212) is 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine.
What is the SMILES notation for 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The canonical SMILES for 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine is CCN1CC2=C(C1)C(N)c1cccc(-c3cccc(OC)c3F)c1N2.
What is the InChIKey of 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
The InChIKey is DFBYLQZKVOKUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-3-24-10-15-16(11-24)23-20-13(7-4-8-14(20)19(15)22)12-6-5-9-17(25-2)18(12)21/h4-9,19,23H,3,10-11,22H2,1-2H3.
What are the key properties of 2-ethyl-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine?
2-ethyl-5-(2-fluoro-3-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-5-(2-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrrolo[3,4-b]quinolin-9-amine is sourced from PubChem (CID 67486212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).