3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C17H14IN3O2 — CID 163249855

IUPAC3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc2nccc(-c3[nH]c4c(c3I)C(=O)NCC4)c2c1
InChIInChI=1S/C17H14IN3O2/c1-23-9-2-3-12-11(8-9)10(4-6-19-12)16-15(18)14-13(21-16)5-7-20-17(14)22/h2-4,6,8,21H,5,7H2,1H3,(H,20,22)
InChIKeyMUAJCOMRRNVHSI-UHFFFAOYSA-N
MW419.22 g/mol
LogP3.13
Rot. Bonds2

About 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163249855) has the molecular formula C17H14IN3O2 and a molecular weight of 419.22 g/mol. Its IUPAC name is 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163249855
Molecular FormulaC17H14IN3O2
Molecular Weight419.22 g/mol
Exact Mass419.01
IUPAC Name3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc2nccc(-c3[nH]c4c(c3I)C(=O)NCC4)c2c1
InChIInChI=1S/C17H14IN3O2/c1-23-9-2-3-12-11(8-9)10(4-6-19-12)16-15(18)14-13(21-16)5-7-20-17(14)22/h2-4,6,8,21H,5,7H2,1H3,(H,20,22)
InChIKeyMUAJCOMRRNVHSI-UHFFFAOYSA-N
XLogP3.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-2-(6-methoxy-1,7-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250301
2-(6,7-dimethoxy-1,5-naphthyridin-4-yl)-3-iodo-1,5,6,7-tetrahydroindol-4-one
CID 170206613
6-methoxy-4-(1H-pyrazol-4-yl)quinoline
CID 67260724
tert-butyl N-[4-(3-iodo-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]-N-methylcarbamate
CID 163249895
CID 131885395
CID 131885395
3-(3-fluoro-2-methoxyanilino)-2-(2-phenyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249962
(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235634
3-(3-fluoro-2-methoxyanilino)-2-[6-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398721
3-chloro-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 149372532
3-iodo-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-6-(trifluoromethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250217
2-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(3-fluoro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398566
3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250006

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163249855) is 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1ccc2nccc(-c3[nH]c4c(c3I)C(=O)NCC4)c2c1.
What is the InChIKey of 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is MUAJCOMRRNVHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O2/c1-23-9-2-3-12-11(8-9)10(4-6-19-12)16-15(18)14-13(21-16)5-7-20-17(14)22/h2-4,6,8,21H,5,7H2,1H3,(H,20,22).
What are the key properties of 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 419.22 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163249855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).