ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate

C22H16ClN3O5 — CID 39850158

IUPACethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(NC(=O)c3c[nH]c4ccc(Cl)cc4c3=O)cc2c1=O
InChIInChI=1S/C22H16ClN3O5/c1-2-31-22(30)16-10-25-18-6-4-12(8-14(18)20(16)28)26-21(29)15-9-24-17-5-3-11(23)7-13(17)19(15)27/h3-10H,2H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyGNUNEBKLHGUKHZ-UHFFFAOYSA-N
MW437.84 g/mol
LogP3.45
Rot. Bonds4

About ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 39850158) has the molecular formula C22H16ClN3O5 and a molecular weight of 437.84 g/mol. Its IUPAC name is ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID39850158
Molecular FormulaC22H16ClN3O5
Molecular Weight437.84 g/mol
Exact Mass437.08
IUPAC Nameethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(NC(=O)c3c[nH]c4ccc(Cl)cc4c3=O)cc2c1=O
InChIInChI=1S/C22H16ClN3O5/c1-2-31-22(30)16-10-25-18-6-4-12(8-14(18)20(16)28)26-21(29)15-9-24-17-5-3-11(23)7-13(17)19(15)27/h3-10H,2H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyGNUNEBKLHGUKHZ-UHFFFAOYSA-N
XLogP3.45
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.84
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
ethyl 6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849905
ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17016505
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate
CID 39850128
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
ethyl 4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylate
CID 155478923
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
ethyl 7-chloro-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 1069432

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate (CID 39850158) is ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(NC(=O)c3c[nH]c4ccc(Cl)cc4c3=O)cc2c1=O.
What is the InChIKey of ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is GNUNEBKLHGUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O5/c1-2-31-22(30)16-10-25-18-6-4-12(8-14(18)20(16)28)26-21(29)15-9-24-17-5-3-11(23)7-13(17)19(15)27/h3-10H,2H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 437.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 39850158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).