ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate

C23H20N4O4 — CID 55766173

IUPACethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(=O)n(C)c4ccccc34)c2)n1
InChIInChI=1S/C23H20N4O4/c1-3-31-23(30)19-11-12-27(25-19)16-8-6-7-15(13-16)24-22(29)18-14-21(28)26(2)20-10-5-4-9-17(18)20/h4-14H,3H2,1-2H3,(H,24,29)
InChIKeyCNGZGZJNIPISAI-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.15
Rot. Bonds5

About ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate

ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate (PubChem CID 55766173) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
PubChem CID55766173
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Nameethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(=O)n(C)c4ccccc34)c2)n1
InChIInChI=1S/C23H20N4O4/c1-3-31-23(30)19-11-12-27(25-19)16-8-6-7-15(13-16)24-22(29)18-14-21(28)26(2)20-10-5-4-9-17(18)20/h4-14H,3H2,1-2H3,(H,24,29)
InChIKeyCNGZGZJNIPISAI-UHFFFAOYSA-N
XLogP3.15
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate (CID 55766173) is ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(=O)n(C)c4ccccc34)c2)n1.
What is the InChIKey of ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
The InChIKey is CNGZGZJNIPISAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-31-23(30)19-11-12-27(25-19)16-8-6-7-15(13-16)24-22(29)18-14-21(28)26(2)20-10-5-4-9-17(18)20/h4-14H,3H2,1-2H3,(H,24,29).
What are the key properties of ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate?
ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 55766173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).