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

C21H19NO4 — CID 2120155

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H19NO4/c1-13-10-18(17-6-4-5-7-19(17)22-13)21(24)26-12-16-11-15(14(2)23)8-9-20(16)25-3/h4-11H,12H2,1-3H3
InChIKeyIFEIEQPLJVJJIL-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.11
Rot. Bonds5

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

(5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate (PubChem CID 2120155) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate
PubChem CID2120155
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C21H19NO4/c1-13-10-18(17-6-4-5-7-19(17)22-13)21(24)26-12-16-11-15(14(2)23)8-9-20(16)25-3/h4-11H,12H2,1-3H3
InChIKeyIFEIEQPLJVJJIL-UHFFFAOYSA-N
XLogP4.11
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Neocinchophen
CID 68089
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
Jnj16259685
CID 11313361
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
(3-Ethyl-2-methoxyquinolin-6-yl)(4-methoxycyclohexyl)methanone
CID 10245890
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
4-Nitrophenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1124656
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
6-Methoxy-2-phenyl-4-quinolinecarboxylic acid
CID 237402
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate (CID 2120155) is (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
The InChIKey is IFEIEQPLJVJJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-13-10-18(17-6-4-5-7-19(17)22-13)21(24)26-12-16-11-15(14(2)23)8-9-20(16)25-3/h4-11H,12H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 2-methylquinoline-4-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.11, 5 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-methylquinoline-4-carboxylate is sourced from PubChem (CID 2120155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).