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

C20H17ClFN3O2 — CID 67486507

IUPAC9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cc(Cl)ccc4OC)c(F)ccc3c(N)c2C1=O
InChIInChI=1S/C20H17ClFN3O2/c1-3-25-9-14-17(20(25)26)18(23)11-5-6-13(22)16(19(11)24-14)12-8-10(21)4-7-15(12)27-2/h4-8H,3,9H2,1-2H3,(H2,23,24)
InChIKeyHZNKKIZATIPLLN-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.26
Rot. Bonds3

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

9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 67486507) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID67486507
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCCN1Cc2nc3c(-c4cc(Cl)ccc4OC)c(F)ccc3c(N)c2C1=O
InChIInChI=1S/C20H17ClFN3O2/c1-3-25-9-14-17(20(25)26)18(23)11-5-6-13(22)16(19(11)24-14)12-8-10(21)4-7-15(12)27-2/h4-8H,3,9H2,1-2H3,(H2,23,24)
InChIKeyHZNKKIZATIPLLN-UHFFFAOYSA-N
XLogP4.26
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one with MolForge

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Related Compounds

9-amino-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868304
9-amino-2-ethyl-5-(4-fluoro-3-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25132711
9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242731
9-amino-5-(2,5-difluoro-4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487453
9-amino-2-cyclobutyl-6-fluoro-5-(2-fluoro-5-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868282
9-amino-2-cyclobutyl-6-fluoro-5-(2-fluoro-3-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868307
9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613678
9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129989
9-amino-2-(cyclobutadienyl)-6-fluoro-5-(2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485780
9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129986
9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487851
5-(2,4-difluorophenyl)-2-ethyl-6-fluoro-1,3-dihydropyrrolo[3,4-b]quinolin-9-amine
CID 67487543

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one (CID 67486507) is 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one is CCN1Cc2nc3c(-c4cc(Cl)ccc4OC)c(F)ccc3c(N)c2C1=O.
What is the InChIKey of 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is HZNKKIZATIPLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-3-25-9-14-17(20(25)26)18(23)11-5-6-13(22)16(19(11)24-14)12-8-10(21)4-7-15(12)27-2/h4-8H,3,9H2,1-2H3,(H2,23,24).
What are the key properties of 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one?
9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 385.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 67486507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).