[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C24H27N3O4 — CID 23909864

IUPAC[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCC(C)c1ccccc1NC(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C24H27N3O4/c1-5-15(3)17-9-7-8-10-20(17)26-21(28)14-31-24(30)19-13-27(6-2)23-18(22(19)29)12-11-16(4)25-23/h7-13,15H,5-6,14H2,1-4H3,(H,26,28)
InChIKeyOZRQZOKCTVLPGU-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.03
Rot. Bonds7

About [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 23909864) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID23909864
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCC(C)c1ccccc1NC(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C24H27N3O4/c1-5-15(3)17-9-7-8-10-20(17)26-21(28)14-31-24(30)19-13-27(6-2)23-18(22(19)29)12-11-16(4)25-23/h7-13,15H,5-6,14H2,1-4H3,(H,26,28)
InChIKeyOZRQZOKCTVLPGU-UHFFFAOYSA-N
XLogP4.03
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23741999
[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5039578
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484632
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671256
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891
ethyl 7-methyl-4-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,8-naphthyridine-3-carboxylate
CID 16804712
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2496453
N-(4-butan-2-ylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 3188582
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485747
[2-(2-butan-2-ylanilino)-2-oxoethyl] anthracene-9-carboxylate
CID 3410069

Frequently Asked Questions

What is the IUPAC name of [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 23909864) is [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCC(C)c1ccccc1NC(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is OZRQZOKCTVLPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-15(3)17-9-7-8-10-20(17)26-21(28)14-31-24(30)19-13-27(6-2)23-18(22(19)29)12-11-16(4)25-23/h7-13,15H,5-6,14H2,1-4H3,(H,26,28).
What are the key properties of [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butan-2-ylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 23909864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).