9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

C21H19F2N3O2 — CID 175264869

IUPAC9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCCN1Cc2nc3c(-c4c(F)cccc4OC)c(F)ccc3c(N)c2C1C=O
InChIInChI=1S/C21H19F2N3O2/c1-3-26-9-14-19(15(26)10-27)20(24)11-7-8-13(23)18(21(11)25-14)17-12(22)5-4-6-16(17)28-2/h4-8,10,15H,3,9H2,1-2H3,(H2,24,25)
InChIKeyNOPDIZVFKFPLDN-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.85
Rot. Bonds4

About 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 175264869) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID175264869
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCCN1Cc2nc3c(-c4c(F)cccc4OC)c(F)ccc3c(N)c2C1C=O
InChIInChI=1S/C21H19F2N3O2/c1-3-26-9-14-19(15(26)10-27)20(24)11-7-8-13(23)18(21(11)25-14)17-12(22)5-4-6-16(17)28-2/h4-8,10,15H,3,9H2,1-2H3,(H2,24,25)
InChIKeyNOPDIZVFKFPLDN-UHFFFAOYSA-N
XLogP3.85
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613678
9-amino-2-ethyl-6-fluoro-5-(2-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613667
9-amino-2-ethyl-5-(4-fluoro-3-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613635
9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598073
9-amino-5-bromo-6-fluoro-2-methyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598096
9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129986
9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613680
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598061
9-amino-2-cyclobutyl-6-fluoro-5-(2-fluoro-3-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868307
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(2-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598089
9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67486507
9-amino-2-ethyl-5-(3-fluoro-2-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242731

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 175264869) is 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is CCN1Cc2nc3c(-c4c(F)cccc4OC)c(F)ccc3c(N)c2C1C=O.
What is the InChIKey of 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is NOPDIZVFKFPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-3-26-9-14-19(15(26)10-27)20(24)11-7-8-13(23)18(21(11)25-14)17-12(22)5-4-6-16(17)28-2/h4-8,10,15H,3,9H2,1-2H3,(H2,24,25).
What are the key properties of 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 383.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 175264869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).