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

C20H19FN4O2 — CID 174613678

IUPAC9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCCN1Cc2nc3c(-c4cnccc4OC)c(F)ccc3c(N)c2C1C=O
InChIInChI=1S/C20H19FN4O2/c1-3-25-9-14-18(15(25)10-26)19(22)11-4-5-13(21)17(20(11)24-14)12-8-23-7-6-16(12)27-2/h4-8,10,15H,3,9H2,1-2H3,(H2,22,24)
InChIKeyGJTNQTLGRSTTHV-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.10
Rot. Bonds4

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

9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 174613678) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID174613678
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCCN1Cc2nc3c(-c4cnccc4OC)c(F)ccc3c(N)c2C1C=O
InChIInChI=1S/C20H19FN4O2/c1-3-25-9-14-18(15(25)10-26)19(22)11-4-5-13(21)17(20(11)24-14)12-8-23-7-6-16(12)27-2/h4-8,10,15H,3,9H2,1-2H3,(H2,22,24)
InChIKeyGJTNQTLGRSTTHV-UHFFFAOYSA-N
XLogP3.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 174613678) is 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is CCN1Cc2nc3c(-c4cnccc4OC)c(F)ccc3c(N)c2C1C=O.
What is the InChIKey of 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is GJTNQTLGRSTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-3-25-9-14-18(15(25)10-26)19(22)11-4-5-13(21)17(20(11)24-14)12-8-23-7-6-16(12)27-2/h4-8,10,15H,3,9H2,1-2H3,(H2,22,24).
What are the key properties of 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 366.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-ethyl-6-fluoro-5-(4-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 174613678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).