ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate

C23H20N4O5 — CID 39851583

IUPACethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2c1N
InChIInChI=1S/C23H20N4O5/c1-2-32-23(31)17-12-25-18-8-5-14(11-16(18)21(17)24)26-22(30)13-3-6-15(7-4-13)27-19(28)9-10-20(27)29/h3-8,11-12H,2,9-10H2,1H3,(H2,24,25)(H,26,30)
InChIKeyUEJBBMPUKBEVTB-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.90
Rot. Bonds5

About ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate

ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate (PubChem CID 39851583) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate
PubChem CID39851583
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Nameethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2c1N
InChIInChI=1S/C23H20N4O5/c1-2-32-23(31)17-12-25-18-8-5-14(11-16(18)21(17)24)26-22(30)13-3-6-15(7-4-13)27-19(28)9-10-20(27)29/h3-8,11-12H,2,9-10H2,1H3,(H2,24,25)(H,26,30)
InChIKeyUEJBBMPUKBEVTB-UHFFFAOYSA-N
XLogP2.90
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
ethyl 1-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38044668
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55833464
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 5-amino-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363391

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate (CID 39851583) is ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2c1N.
What is the InChIKey of ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate?
The InChIKey is UEJBBMPUKBEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-2-32-23(31)17-12-25-18-8-5-14(11-16(18)21(17)24)26-22(30)13-3-6-15(7-4-13)27-19(28)9-10-20(27)29/h3-8,11-12H,2,9-10H2,1H3,(H2,24,25)(H,26,30).
What are the key properties of ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate?
ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate has a molecular weight of 432.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate is sourced from PubChem (CID 39851583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).