ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate

C20H20N2O4 — CID 3058686

IUPACethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(OC)cc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C20H20N2O4/c1-4-26-20(24)17-18(21-13-9-11-14(25-3)12-10-13)15-7-5-6-8-16(15)22(2)19(17)23/h5-12,21H,4H2,1-3H3
InChIKeyITYIUMGOUHINCR-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.47
Rot. Bonds5

About ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate

ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 3058686) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID3058686
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(OC)cc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C20H20N2O4/c1-4-26-20(24)17-18(21-13-9-11-14(25-3)12-10-13)15-7-5-6-8-16(15)22(2)19(17)23/h5-12,21H,4H2,1-3H3
InChIKeyITYIUMGOUHINCR-UHFFFAOYSA-N
XLogP3.47
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate (CID 3058686) is ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(Nc2ccc(OC)cc2)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is ITYIUMGOUHINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-26-20(24)17-18(21-13-9-11-14(25-3)12-10-13)15-7-5-6-8-16(15)22(2)19(17)23/h5-12,21H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 3058686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).