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

C20H19NO6 — CID 122182219

IUPAC(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)c3cc(OC)c(OC)c(OC)c3O)ccc2c1
InChIInChI=1S/C20H19NO6/c1-24-12-6-8-14-11(9-12)5-7-15(21-14)17(22)13-10-16(25-2)19(26-3)20(27-4)18(13)23/h5-10,23H,1-4H3
InChIKeyXBQHVKMUWVSBOA-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.21
Rot. Bonds6

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

(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone (PubChem CID 122182219) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone
PubChem CID122182219
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)c3cc(OC)c(OC)c(OC)c3O)ccc2c1
InChIInChI=1S/C20H19NO6/c1-24-12-6-8-14-11(9-12)5-7-15(21-14)17(22)13-10-16(25-2)19(26-3)20(27-4)18(13)23/h5-10,23H,1-4H3
InChIKeyXBQHVKMUWVSBOA-UHFFFAOYSA-N
XLogP3.21
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(3-Hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 138857390
CID 45139825
CID 45139825
Antitumor agent-164
CID 156583242
(4-Hydroxy-5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24906249
2-(3,4-Dihydroxy-5-methoxystyryl)-8-hydroxyquinoline-7-carboxylic acid
CID 5275788
(5-Methoxy-1H-indol-2-yl)-(2,3,4-trimethoxy-phenyl)-methanone
CID 11824033
Quinolin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 21815820
(6-Methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139822
(2-Methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45139824
(6-Phenylpyridin-2-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53361672
(5-Chloro-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56925461
(5-Bromo-6-methoxyquinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 56925462

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone?
The IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone (CID 122182219) is (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone?
The canonical SMILES for (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone is COc1ccc2nc(C(=O)c3cc(OC)c(OC)c(OC)c3O)ccc2c1.
What is the InChIKey of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone?
The InChIKey is XBQHVKMUWVSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-12-6-8-14-11(9-12)5-7-15(21-14)17(22)13-10-16(25-2)19(26-3)20(27-4)18(13)23/h5-10,23H,1-4H3.
What are the key properties of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone?
(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone has a molecular weight of 369.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 122182219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).