ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate

C23H20N2O3 — CID 9354471

IUPACethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cn2ccc3ccccc3c2=O)nc2ccccc2c1C
InChIInChI=1S/C23H20N2O3/c1-3-28-23(27)21-15(2)17-9-6-7-11-19(17)24-20(21)14-25-13-12-16-8-4-5-10-18(16)22(25)26/h4-13H,3,14H2,1-2H3
InChIKeyMVGURYBRSQYJIL-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.08
Rot. Bonds4

About ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate

ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate (PubChem CID 9354471) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
PubChem CID9354471
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Nameethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cn2ccc3ccccc3c2=O)nc2ccccc2c1C
InChIInChI=1S/C23H20N2O3/c1-3-28-23(27)21-15(2)17-9-6-7-11-19(17)24-20(21)14-25-13-12-16-8-4-5-10-18(16)22(25)26/h4-13H,3,14H2,1-2H3
InChIKeyMVGURYBRSQYJIL-UHFFFAOYSA-N
XLogP4.08
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 18191638
ethyl 4-methyl-2-[(2-nitrophenoxy)methyl]quinoline-3-carboxylate
CID 7894360
ethyl 2-[[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-methylquinoline-3-carboxylate
CID 96538207
ethyl 4-methyl-2-[(4-methylsulfonylphenoxy)methyl]quinoline-3-carboxylate
CID 55590399
ethyl 2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 26921692
(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate
CID 8932617
ethyl 4-methyl-2-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 55916411
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
CID 8020793
ethyl 2-[(4-formylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 4853451
ethyl 2-[[2-(2-fluorophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8661348
ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
CID 55994724

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate (CID 9354471) is ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate is CCOC(=O)c1c(Cn2ccc3ccccc3c2=O)nc2ccccc2c1C.
What is the InChIKey of ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate?
The InChIKey is MVGURYBRSQYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-3-28-23(27)21-15(2)17-9-6-7-11-19(17)24-20(21)14-25-13-12-16-8-4-5-10-18(16)22(25)26/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate?
ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate is sourced from PubChem (CID 9354471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).