(2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate

C20H19NO6 — CID 664503

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C20H19NO6/c1-24-16-9-13(10-17(25-2)18(16)26-3)20(23)27-11-14-8-12-6-4-5-7-15(12)21-19(14)22/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyWFQKQXFIJQAGTD-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.91
Rot. Bonds6

About (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate

(2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate (PubChem CID 664503) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate
PubChem CID664503
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc(OC)c1OC
InChIInChI=1S/C20H19NO6/c1-24-16-9-13(10-17(25-2)18(16)26-3)20(23)27-11-14-8-12-6-4-5-7-15(12)21-19(14)22/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyWFQKQXFIJQAGTD-UHFFFAOYSA-N
XLogP2.91
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tranilast
CID 5282230
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
3,4,5-Trimethoxybenzanilide
CID 305103
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dimethoxybenzoate
CID 1346502
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
ethyl 2-(3,5-dimethoxyphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71460683
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide
CID 754510

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate (CID 664503) is (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate is COc1cc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc(OC)c1OC.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate?
The InChIKey is WFQKQXFIJQAGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-16-9-13(10-17(25-2)18(16)26-3)20(23)27-11-14-8-12-6-4-5-7-15(12)21-19(14)22/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate?
(2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate has a molecular weight of 369.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 664503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).