[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H20ClN3O4 — CID 15988583

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H20ClN3O4/c1-4-25-10-16(19(27)15-8-6-13(3)23-20(15)25)21(28)29-11-18(26)24-17-9-14(22)7-5-12(17)2/h5-10H,4,11H2,1-3H3,(H,24,26)
InChIKeyCSORVCMFNUTLPP-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.48
Rot. Bonds5

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 15988583) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID15988583
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H20ClN3O4/c1-4-25-10-16(19(27)15-8-6-13(3)23-20(15)25)21(28)29-11-18(26)24-17-9-14(22)7-5-12(17)2/h5-10H,4,11H2,1-3H3,(H,24,26)
InChIKeyCSORVCMFNUTLPP-UHFFFAOYSA-N
XLogP3.48
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 15988583) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c(=O)c2ccc(C)nc21.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is CSORVCMFNUTLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-4-25-10-16(19(27)15-8-6-13(3)23-20(15)25)21(28)29-11-18(26)24-17-9-14(22)7-5-12(17)2/h5-10H,4,11H2,1-3H3,(H,24,26).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 413.86 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 15988583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).