(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate

C20H19NO5 — CID 1400207

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)c1
InChIInChI=1S/C20H19NO5/c1-12-5-4-6-13-7-15(19(22)21-18(12)13)11-26-20(23)14-8-16(24-2)10-17(9-14)25-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyZUPCDZVOLMQIAK-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.21
Rot. Bonds5

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate (PubChem CID 1400207) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate
PubChem CID1400207
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)c1
InChIInChI=1S/C20H19NO5/c1-12-5-4-6-13-7-15(19(22)21-18(12)13)11-26-20(23)14-8-16(24-2)10-17(9-14)25-3/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyZUPCDZVOLMQIAK-UHFFFAOYSA-N
XLogP3.21
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl (2R)-oxolane-2-carboxylate
CID 946744
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-cyclopentyl-3-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1445613
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
2-methoxy-N-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1425529
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 3296261

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate (CID 1400207) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)c1.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate?
The InChIKey is ZUPCDZVOLMQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12-5-4-6-13-7-15(19(22)21-18(12)13)11-26-20(23)14-8-16(24-2)10-17(9-14)25-3/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate has a molecular weight of 353.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 1400207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).