5-[iodo(oxiran-2-yl)methoxy]quinoline

C12H10INO2 — CID 18703659

IUPAC5-[iodo(oxiran-2-yl)methoxy]quinoline
SMILESIC(Oc1cccc2ncccc12)C1CO1
InChIInChI=1S/C12H10INO2/c13-12(11-7-15-11)16-10-5-1-4-9-8(10)3-2-6-14-9/h1-6,11-12H,7H2
InChIKeyKAQCKWREKDKGGQ-UHFFFAOYSA-N
MW327.12 g/mol
LogP2.77
Rot. Bonds3

About 5-[iodo(oxiran-2-yl)methoxy]quinoline

5-[iodo(oxiran-2-yl)methoxy]quinoline (PubChem CID 18703659) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 5-[iodo(oxiran-2-yl)methoxy]quinoline.

Molecular Properties

Compound Name5-[iodo(oxiran-2-yl)methoxy]quinoline
PubChem CID18703659
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC Name5-[iodo(oxiran-2-yl)methoxy]quinoline
SMILESIC(Oc1cccc2ncccc12)C1CO1
InChIInChI=1S/C12H10INO2/c13-12(11-7-15-11)16-10-5-1-4-9-8(10)3-2-6-14-9/h1-6,11-12H,7H2
InChIKeyKAQCKWREKDKGGQ-UHFFFAOYSA-N
XLogP2.77
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
2-quinolin-5-yloxyacetaldehyde
CID 103045247
1-cyclopropyl-2-quinolin-5-yloxyethanamine
CID 103044483
3-amino-2-quinolin-5-yloxybutan-1-ol
CID 103044560
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
CID 103229133
1-(furan-2-yl)-1-quinolin-5-yloxypropan-2-amine
CID 103044219
N-methyl-3-(oxan-4-yl)-3-quinolin-5-yloxypropan-1-amine
CID 135145377
5-[amino(quinolin-5-yloxy)phosphanyl]oxyquinoline
CID 175462388
N-(2-quinolin-5-yloxypentyl)cyclopropanamine
CID 103045789
[5-(quinolin-5-yloxymethyl)oxolan-2-yl]methanamine
CID 103045798
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
5-pyridin-4-yloxyquinoline
CID 91445201

Frequently Asked Questions

What is the IUPAC name of 5-[iodo(oxiran-2-yl)methoxy]quinoline?
The IUPAC name of 5-[iodo(oxiran-2-yl)methoxy]quinoline (CID 18703659) is 5-[iodo(oxiran-2-yl)methoxy]quinoline.
What is the SMILES notation for 5-[iodo(oxiran-2-yl)methoxy]quinoline?
The canonical SMILES for 5-[iodo(oxiran-2-yl)methoxy]quinoline is IC(Oc1cccc2ncccc12)C1CO1.
What is the InChIKey of 5-[iodo(oxiran-2-yl)methoxy]quinoline?
The InChIKey is KAQCKWREKDKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c13-12(11-7-15-11)16-10-5-1-4-9-8(10)3-2-6-14-9/h1-6,11-12H,7H2.
What are the key properties of 5-[iodo(oxiran-2-yl)methoxy]quinoline?
5-[iodo(oxiran-2-yl)methoxy]quinoline has a molecular weight of 327.12 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[iodo(oxiran-2-yl)methoxy]quinoline is sourced from PubChem (CID 18703659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).