(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate

C19H17NO4 — CID 664646

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C19H17NO4/c1-12-4-3-5-14-10-15(18(21)20-17(12)14)11-24-19(22)13-6-8-16(23-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDLYCJGIWRXDLGT-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.20
Rot. Bonds4

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate (PubChem CID 664646) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate
PubChem CID664646
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C19H17NO4/c1-12-4-3-5-14-10-15(18(21)20-17(12)14)11-24-19(22)13-6-8-16(23-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDLYCJGIWRXDLGT-UHFFFAOYSA-N
XLogP3.20
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-(((2,6-bis(1-methylethyl)phenyl)amino)carbonyl)-, methyl ester
CID 3072813
Methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
CID 2925014
2-[(4-Ethoxybenzoyl)amino]benzoic acid
CID 590977
Benzamide, N-(2,6-dimethylphenyl)-4-methoxy-
CID 178983
N-(2-ethylphenyl)-4-methoxybenzamide
CID 710654
Methyl 2-(2-methoxybenzamido)benzoate
CID 650638
ethyl 7-methoxy-2-(m-tolyl)-4-oxo-1H-quinoline-3-carboxylate
CID 46884041
ethyl 2-(3-acetylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71453506
ethyl 7-methoxy-4-oxo-2-(3-vinylphenyl)-1H-quinoline-3-carboxylate
CID 71458871
2-(4-Methoxyphenyl)ethyl 3-acetamidobenzoate
CID 2662475
N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 664354
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate
CID 664367

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate (CID 664646) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate?
The InChIKey is DLYCJGIWRXDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-4-3-5-14-10-15(18(21)20-17(12)14)11-24-19(22)13-6-8-16(23-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate has a molecular weight of 323.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-methoxybenzoate is sourced from PubChem (CID 664646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).