3-(1,3-dioxolan-2-yl)-2-iodoquinoline

C12H10INO2 — CID 11347989

IUPAC3-(1,3-dioxolan-2-yl)-2-iodoquinoline
SMILESIc1nc2ccccc2cc1C1OCCO1
InChIInChI=1S/C12H10INO2/c13-11-9(12-15-5-6-16-12)7-8-3-1-2-4-10(8)14-11/h1-4,7,12H,5-6H2
InChIKeyJBCRJFBWNIMKMT-UHFFFAOYSA-N
MW327.12 g/mol
LogP2.88
Rot. Bonds1

About 3-(1,3-dioxolan-2-yl)-2-iodoquinoline

3-(1,3-dioxolan-2-yl)-2-iodoquinoline (PubChem CID 11347989) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2-iodoquinoline.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2-iodoquinoline
PubChem CID11347989
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC Name3-(1,3-dioxolan-2-yl)-2-iodoquinoline
SMILESIc1nc2ccccc2cc1C1OCCO1
InChIInChI=1S/C12H10INO2/c13-11-9(12-15-5-6-16-12)7-8-3-1-2-4-10(8)14-11/h1-4,7,12H,5-6H2
InChIKeyJBCRJFBWNIMKMT-UHFFFAOYSA-N
XLogP2.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-2-iodoquinoline?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2-iodoquinoline (CID 11347989) is 3-(1,3-dioxolan-2-yl)-2-iodoquinoline.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2-iodoquinoline?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2-iodoquinoline is Ic1nc2ccccc2cc1C1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2-iodoquinoline?
The InChIKey is JBCRJFBWNIMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c13-11-9(12-15-5-6-16-12)7-8-3-1-2-4-10(8)14-11/h1-4,7,12H,5-6H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-2-iodoquinoline?
3-(1,3-dioxolan-2-yl)-2-iodoquinoline has a molecular weight of 327.12 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2-iodoquinoline is sourced from PubChem (CID 11347989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).