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

C20H20N4O — CID 174598073

IUPAC9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCCN1Cc2nc3c(-c4cnccc4C)cccc3c(N)c2C1C=O
InChIInChI=1S/C20H20N4O/c1-3-24-10-16-18(17(24)11-25)19(21)14-6-4-5-13(20(14)23-16)15-9-22-8-7-12(15)2/h4-9,11,17H,3,10H2,1-2H3,(H2,21,23)
InChIKeyYCIDDKAICBCKBT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.26
Rot. Bonds3

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

9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 174598073) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID174598073
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCCN1Cc2nc3c(-c4cnccc4C)cccc3c(N)c2C1C=O
InChIInChI=1S/C20H20N4O/c1-3-24-10-16-18(17(24)11-25)19(21)14-6-4-5-13(20(14)23-16)15-9-22-8-7-12(15)2/h4-9,11,17H,3,10H2,1-2H3,(H2,21,23)
InChIKeyYCIDDKAICBCKBT-UHFFFAOYSA-N
XLogP3.26
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.26
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-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613640
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-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 175264869
9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613638
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-2-ethyl-6-fluoro-5-(4-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868304
9-amino-5-bromo-6-fluoro-2-methyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598096
9-amino-2-cyclopentyl-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598078
9-amino-2-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485761
2-(4-methyl-3-pyridinyl)aniline
CID 65438543
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-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 174598073) is 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is CCN1Cc2nc3c(-c4cnccc4C)cccc3c(N)c2C1C=O.
What is the InChIKey of 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is YCIDDKAICBCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-24-10-16-18(17(24)11-25)19(21)14-6-4-5-13(20(14)23-16)15-9-22-8-7-12(15)2/h4-9,11,17H,3,10H2,1-2H3,(H2,21,23).
What are the key properties of 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 332.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 174598073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).