9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

C19H16FN3O2 — CID 25129986

IUPAC9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1cccc(F)c1-c1cccc2c(N)c3c(nc12)CN(C)C3=O
InChIInChI=1S/C19H16FN3O2/c1-23-9-13-16(19(23)24)17(21)11-6-3-5-10(18(11)22-13)15-12(20)7-4-8-14(15)25-2/h3-8H,9H2,1-2H3,(H2,21,22)
InChIKeyWYQQXSJPYFMERI-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.22
Rot. Bonds2

About 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one

9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 25129986) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID25129986
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCOc1cccc(F)c1-c1cccc2c(N)c3c(nc12)CN(C)C3=O
InChIInChI=1S/C19H16FN3O2/c1-23-9-13-16(19(23)24)17(21)11-6-3-5-10(18(11)22-13)15-12(20)7-4-8-14(15)25-2/h3-8H,9H2,1-2H3,(H2,21,22)
InChIKeyWYQQXSJPYFMERI-UHFFFAOYSA-N
XLogP3.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 25129986) is 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is COc1cccc(F)c1-c1cccc2c(N)c3c(nc12)CN(C)C3=O.
What is the InChIKey of 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is WYQQXSJPYFMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-23-9-13-16(19(23)24)17(21)11-6-3-5-10(18(11)22-13)15-12(20)7-4-8-14(15)25-2/h3-8H,9H2,1-2H3,(H2,21,22).
What are the key properties of 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 337.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 25129986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).