(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

C23H23NO4 — CID 4544484

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1C
InChIInChI=1S/C23H23NO4/c1-5-19-14(2)22(18-8-6-7-9-20(18)24-19)23(26)28-13-17-12-16(15(3)25)10-11-21(17)27-4/h6-12H,5,13H2,1-4H3
InChIKeyAMZRWBHUQLKQBI-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.67
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 4544484) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID4544484
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1C
InChIInChI=1S/C23H23NO4/c1-5-19-14(2)22(18-8-6-7-9-20(18)24-19)23(26)28-13-17-12-16(15(3)25)10-11-21(17)27-4/h6-12H,5,13H2,1-4H3
InChIKeyAMZRWBHUQLKQBI-UHFFFAOYSA-N
XLogP4.67
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847126
(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501206
(5-acetyl-2-methoxyphenyl)methyl 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 5014533
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl (3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 75409468
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7875368
(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 4783540
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
[2-(dimethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2092337
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (CID 4544484) is (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1C.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is AMZRWBHUQLKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-5-19-14(2)22(18-8-6-7-9-20(18)24-19)23(26)28-13-17-12-16(15(3)25)10-11-21(17)27-4/h6-12H,5,13H2,1-4H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 4544484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).