7-ethoxy-2-iodoquinoline

C11H10INO — CID 133063492

IUPAC7-ethoxy-2-iodoquinoline
SMILESCCOc1ccc2ccc(I)nc2c1
InChIInChI=1S/C11H10INO/c1-2-14-9-5-3-8-4-6-11(12)13-10(8)7-9/h3-7H,2H2,1H3
InChIKeyQZHUVQZSXZELIU-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.24
Rot. Bonds2

About 7-ethoxy-2-iodoquinoline

7-ethoxy-2-iodoquinoline (PubChem CID 133063492) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 7-ethoxy-2-iodoquinoline.

Molecular Properties

Compound Name7-ethoxy-2-iodoquinoline
PubChem CID133063492
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name7-ethoxy-2-iodoquinoline
SMILESCCOc1ccc2ccc(I)nc2c1
InChIInChI=1S/C11H10INO/c1-2-14-9-5-3-8-4-6-11(12)13-10(8)7-9/h3-7H,2H2,1H3
InChIKeyQZHUVQZSXZELIU-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-ethoxy-3-methylquinoline
CID 145082192
2,6-diethoxyanthracene
CID 12651989
2-ethoxynaphthalene
CID 118978197
3-(7-ethoxy-2-iodoquinolin-3-yl)pentan-3-ylphosphonic acid
CID 19706725
7-(2-ethoxyethoxy)quinolin-2-amine
CID 155566988
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
CID 170868054
methyl 2-chloro-7-ethoxyquinoline-3-carboxylate
CID 119054864
5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468058
2-bromo-7-ethoxynaphthalene
CID 22240149
ethoxyethane;2-ethoxynaphthalene
CID 118982387

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-iodoquinoline?
The IUPAC name of 7-ethoxy-2-iodoquinoline (CID 133063492) is 7-ethoxy-2-iodoquinoline.
What is the SMILES notation for 7-ethoxy-2-iodoquinoline?
The canonical SMILES for 7-ethoxy-2-iodoquinoline is CCOc1ccc2ccc(I)nc2c1.
What is the InChIKey of 7-ethoxy-2-iodoquinoline?
The InChIKey is QZHUVQZSXZELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c1-2-14-9-5-3-8-4-6-11(12)13-10(8)7-9/h3-7H,2H2,1H3.
What are the key properties of 7-ethoxy-2-iodoquinoline?
7-ethoxy-2-iodoquinoline has a molecular weight of 299.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-iodoquinoline is sourced from PubChem (CID 133063492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).