7-iodo-6-methoxy-4-phenoxyquinoline

C16H12INO2 — CID 90048384

IUPAC7-iodo-6-methoxy-4-phenoxyquinoline
SMILESCOc1cc2c(Oc3ccccc3)ccnc2cc1I
InChIInChI=1S/C16H12INO2/c1-19-16-9-12-14(10-13(16)17)18-8-7-15(12)20-11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyKQQHOAVBYCGAOT-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.64
Rot. Bonds3

About 7-iodo-6-methoxy-4-phenoxyquinoline

7-iodo-6-methoxy-4-phenoxyquinoline (PubChem CID 90048384) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 7-iodo-6-methoxy-4-phenoxyquinoline.

Molecular Properties

Compound Name7-iodo-6-methoxy-4-phenoxyquinoline
PubChem CID90048384
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name7-iodo-6-methoxy-4-phenoxyquinoline
SMILESCOc1cc2c(Oc3ccccc3)ccnc2cc1I
InChIInChI=1S/C16H12INO2/c1-19-16-9-12-14(10-13(16)17)18-8-7-15(12)20-11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyKQQHOAVBYCGAOT-UHFFFAOYSA-N
XLogP4.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
CID 11857506
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
6-methoxy-N-methyl-4-[4-(methylamino)phenoxy]quinolin-7-amine
CID 163694913

Frequently Asked Questions

What is the IUPAC name of 7-iodo-6-methoxy-4-phenoxyquinoline?
The IUPAC name of 7-iodo-6-methoxy-4-phenoxyquinoline (CID 90048384) is 7-iodo-6-methoxy-4-phenoxyquinoline.
What is the SMILES notation for 7-iodo-6-methoxy-4-phenoxyquinoline?
The canonical SMILES for 7-iodo-6-methoxy-4-phenoxyquinoline is COc1cc2c(Oc3ccccc3)ccnc2cc1I.
What is the InChIKey of 7-iodo-6-methoxy-4-phenoxyquinoline?
The InChIKey is KQQHOAVBYCGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c1-19-16-9-12-14(10-13(16)17)18-8-7-15(12)20-11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 7-iodo-6-methoxy-4-phenoxyquinoline?
7-iodo-6-methoxy-4-phenoxyquinoline has a molecular weight of 377.18 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-6-methoxy-4-phenoxyquinoline is sourced from PubChem (CID 90048384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).