7-tert-butyl-5-iodo-8-methoxyquinoline

C14H16INO — CID 66771930

IUPAC7-tert-butyl-5-iodo-8-methoxyquinoline
SMILESCOc1c(C(C)(C)C)cc(I)c2cccnc12
InChIInChI=1S/C14H16INO/c1-14(2,3)10-8-11(15)9-6-5-7-16-12(9)13(10)17-4/h5-8H,1-4H3
InChIKeyCVFJCXKQOSEJOR-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.15
Rot. Bonds1

About 7-tert-butyl-5-iodo-8-methoxyquinoline

7-tert-butyl-5-iodo-8-methoxyquinoline (PubChem CID 66771930) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 7-tert-butyl-5-iodo-8-methoxyquinoline.

Molecular Properties

Compound Name7-tert-butyl-5-iodo-8-methoxyquinoline
PubChem CID66771930
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name7-tert-butyl-5-iodo-8-methoxyquinoline
SMILESCOc1c(C(C)(C)C)cc(I)c2cccnc12
InChIInChI=1S/C14H16INO/c1-14(2,3)10-8-11(15)9-6-5-7-16-12(9)13(10)17-4/h5-8H,1-4H3
InChIKeyCVFJCXKQOSEJOR-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
5,7-diiodo-8-propoxyquinoline
CID 100613865
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
5,7-dibromo-8-methoxyquinoline
CID 10805403
5,8-ditert-butylquinoline;ethane
CID 142102448
2-(6-tert-butyl-5-methoxyquinolin-8-yl)cyclohexa-2,4-dien-1-one
CID 58536770
3,8-ditert-butyl-4-methoxyquinoline
CID 129258195
2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
CID 118462786
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-iodo-8-methoxyquinoline?
The IUPAC name of 7-tert-butyl-5-iodo-8-methoxyquinoline (CID 66771930) is 7-tert-butyl-5-iodo-8-methoxyquinoline.
What is the SMILES notation for 7-tert-butyl-5-iodo-8-methoxyquinoline?
The canonical SMILES for 7-tert-butyl-5-iodo-8-methoxyquinoline is COc1c(C(C)(C)C)cc(I)c2cccnc12.
What is the InChIKey of 7-tert-butyl-5-iodo-8-methoxyquinoline?
The InChIKey is CVFJCXKQOSEJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-14(2,3)10-8-11(15)9-6-5-7-16-12(9)13(10)17-4/h5-8H,1-4H3.
What are the key properties of 7-tert-butyl-5-iodo-8-methoxyquinoline?
7-tert-butyl-5-iodo-8-methoxyquinoline has a molecular weight of 341.19 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-iodo-8-methoxyquinoline is sourced from PubChem (CID 66771930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).