[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

C23H22N2O5 — CID 7507750

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cc(=O)c3ccccc3[nH]2)cc1
InChIInChI=1S/C23H22N2O5/c1-23(2,3)15-10-8-14(9-11-15)21(28)25-20(27)13-30-22(29)18-12-19(26)16-6-4-5-7-17(16)24-18/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27,28)
InChIKeyBNHSIISDFUUEGX-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.94
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507750) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507750
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cc(=O)c3ccccc3[nH]2)cc1
InChIInChI=1S/C23H22N2O5/c1-23(2,3)15-10-8-14(9-11-15)21(28)25-20(27)13-30-22(29)18-12-19(26)16-6-4-5-7-17(16)24-18/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27,28)
InChIKeyBNHSIISDFUUEGX-UHFFFAOYSA-N
XLogP2.94
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507078
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7508565
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507105
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504276
[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507048
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960280
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7508192
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
CID 7696392
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7507750) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cc(=O)c3ccccc3[nH]2)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is BNHSIISDFUUEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-23(2,3)15-10-8-14(9-11-15)21(28)25-20(27)13-30-22(29)18-12-19(26)16-6-4-5-7-17(16)24-18/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27,28).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).