9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

C15H14FN3O — CID 174613680

IUPAC9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESNc1c2c(nc3c(F)cccc13)CN(C1CC1)C2C=O
InChIInChI=1S/C15H14FN3O/c16-10-3-1-2-9-14(17)13-11(18-15(9)10)6-19(8-4-5-8)12(13)7-20/h1-3,7-8,12H,4-6H2,(H2,17,18)
InChIKeyWEGVRQFWDWAENU-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.17
Rot. Bonds2

About 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 174613680) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID174613680
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC Name9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESNc1c2c(nc3c(F)cccc13)CN(C1CC1)C2C=O
InChIInChI=1S/C15H14FN3O/c16-10-3-1-2-9-14(17)13-11(18-15(9)10)6-19(8-4-5-8)12(13)7-20/h1-3,7-8,12H,4-6H2,(H2,17,18)
InChIKeyWEGVRQFWDWAENU-UHFFFAOYSA-N
XLogP2.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598114
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-cyclopentyl-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598078
9-amino-5-bromo-6-fluoro-2-methyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598096
9-amino-2-ethyl-6-fluoro-5-(2-fluoro-6-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 175264869
9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613640
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-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598073
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-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598061
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(2-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598089

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 174613680) is 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is Nc1c2c(nc3c(F)cccc13)CN(C1CC1)C2C=O.
What is the InChIKey of 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is WEGVRQFWDWAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-10-3-1-2-9-14(17)13-11(18-15(9)10)6-19(8-4-5-8)12(13)7-20/h1-3,7-8,12H,4-6H2,(H2,17,18).
What are the key properties of 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 271.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 174613680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).