3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline

C12H11IN2 — CID 143462531

IUPAC3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline
SMILESCN1C=C2C=c3ccccc3=CN2C1I
InChIInChI=1S/C12H11IN2/c1-14-8-11-6-9-4-2-3-5-10(9)7-15(11)12(14)13/h2-8,12H,1H3
InChIKeyUZESCIXAMKKKSJ-UHFFFAOYSA-N
MW310.14 g/mol
LogP1.03
Rot. Bonds

About 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline

3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline (PubChem CID 143462531) has the molecular formula C12H11IN2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline.

Molecular Properties

Compound Name3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline
PubChem CID143462531
Molecular FormulaC12H11IN2
Molecular Weight310.14 g/mol
Exact Mass310.00
IUPAC Name3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline
SMILESCN1C=C2C=c3ccccc3=CN2C1I
InChIInChI=1S/C12H11IN2/c1-14-8-11-6-9-4-2-3-5-10(9)7-15(11)12(14)13/h2-8,12H,1H3
InChIKeyUZESCIXAMKKKSJ-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2H-benzo[b]quinolizine
CID 154105828
3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride
CID 172764105
5-fluoro-1-methyl-2-phenyl-2H-pyridin-3-ol
CID 175845990
(10aS)-1,2-dimethyl-2,10a-dihydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
CID 101152473
1,3-diethyl-2-iodo-2H-benzimidazole
CID 67548155
2-methyl-1H-isoquinoline-1,4-diol
CID 22756100
1,5-dimethyl-2-phenyl-2H-pyrrol-3-one
CID 174831246
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
3-methyl-4-phenyl-4H-quinazoline
CID 118895473
4-methyl-2-phenyl-3-propan-2-yl-3H-1,2,4-triazole
CID 71272932
CID 59923861
CID 59923861
CID 177491697
CID 177491697

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline?
The IUPAC name of 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline (CID 143462531) is 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline.
What is the SMILES notation for 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline?
The canonical SMILES for 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline is CN1C=C2C=c3ccccc3=CN2C1I.
What is the InChIKey of 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline?
The InChIKey is UZESCIXAMKKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2/c1-14-8-11-6-9-4-2-3-5-10(9)7-15(11)12(14)13/h2-8,12H,1H3.
What are the key properties of 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline?
3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline has a molecular weight of 310.14 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-3H-imidazo[1,5-b]isoquinoline is sourced from PubChem (CID 143462531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).