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

C19H18N4O — CID 174613640

IUPAC9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCc1ccncc1-c1cccc2c(N)c3c(nc12)CN(C)C3C=O
InChIInChI=1S/C19H18N4O/c1-11-6-7-21-8-14(11)12-4-3-5-13-18(20)17-15(22-19(12)13)9-23(2)16(17)10-24/h3-8,10,16H,9H2,1-2H3,(H2,20,22)
InChIKeyAYOSDEDUIUNCID-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.87
Rot. Bonds2

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

9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 174613640) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID174613640
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCc1ccncc1-c1cccc2c(N)c3c(nc12)CN(C)C3C=O
InChIInChI=1S/C19H18N4O/c1-11-6-7-21-8-14(11)12-4-3-5-13-18(20)17-15(22-19(12)13)9-23(2)16(17)10-24/h3-8,10,16H,9H2,1-2H3,(H2,20,22)
InChIKeyAYOSDEDUIUNCID-UHFFFAOYSA-N
XLogP2.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.87
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-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598073
9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613638
9-amino-5-bromo-6-fluoro-2-methyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598096
9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613680
9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598114
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-cyclopentyl-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598078
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-5-(4-fluoro-3-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613635
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-(cyclobutadienyl)-5-(3-methoxy-4-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67485761
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598061

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 174613640) is 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is Cc1ccncc1-c1cccc2c(N)c3c(nc12)CN(C)C3C=O.
What is the InChIKey of 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is AYOSDEDUIUNCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-6-7-21-8-14(11)12-4-3-5-13-18(20)17-15(22-19(12)13)9-23(2)16(17)10-24/h3-8,10,16H,9H2,1-2H3,(H2,20,22).
What are the key properties of 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 318.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 174613640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).