(5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H18INO5 — CID 56925463

IUPAC(5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(I)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C20H18INO5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,1-4H3
InChIKeyMSDSGIYXUFPPAP-UHFFFAOYSA-N
MW479.27 g/mol
LogP4.10
Rot. Bonds6

About (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56925463) has the molecular formula C20H18INO5 and a molecular weight of 479.27 g/mol. Its IUPAC name is (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56925463
Molecular FormulaC20H18INO5
Molecular Weight479.27 g/mol
Exact Mass479.02
IUPAC Name(5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(I)c(OC)ccc3n2)cc(OC)c1OC
InChIInChI=1S/C20H18INO5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,1-4H3
InChIKeyMSDSGIYXUFPPAP-UHFFFAOYSA-N
XLogP4.10
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,9,10-Pentamethoxy-7H-dibenzo(de,g)quinolin-7-one
CID 284998
Papaveraldine
CID 96932
6-(3',4',5'-Trimethoxybenzoyl)quinoline
CID 45139642
[6-(3-Hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 138857390
CID 45139825
CID 45139825
3-[(3,4,5-trimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 6247103
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
Antitumor agent-164
CID 156583242
(5-methoxy-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 9924078
(5-Methyl-1H-indol-2-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 9945147
5-Methoxy-2-methyl-1-(3,4,5-trimethoxybenzoyl)indole
CID 10066775
(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11279701

Frequently Asked Questions

What is the IUPAC name of (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 56925463) is (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc3c(I)c(OC)ccc3n2)cc(OC)c1OC.
What is the InChIKey of (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is MSDSGIYXUFPPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18INO5/c1-24-15-8-7-13-12(18(15)21)5-6-14(22-13)19(23)11-9-16(25-2)20(27-4)17(10-11)26-3/h5-10H,1-4H3.
What are the key properties of (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 479.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56925463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).