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

C20H20N2O3 — CID 3058685

IUPACethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(C)cc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C20H20N2O3/c1-4-25-20(24)17-18(21-14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)22(3)19(17)23/h5-12,21H,4H2,1-3H3
InChIKeyNKGZTIUJGNWZKX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.77
Rot. Bonds4

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

ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate (PubChem CID 3058685) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate
PubChem CID3058685
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(C)cc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C20H20N2O3/c1-4-25-20(24)17-18(21-14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)22(3)19(17)23/h5-12,21H,4H2,1-3H3
InChIKeyNKGZTIUJGNWZKX-UHFFFAOYSA-N
XLogP3.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate (CID 3058685) is ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(Nc2ccc(C)cc2)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate?
The InChIKey is NKGZTIUJGNWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-20(24)17-18(21-14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)22(3)19(17)23/h5-12,21H,4H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate?
ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 3058685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).