ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

C29H24N4O4 — CID 4196922

IUPACethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12
InChIInChI=1S/C29H24N4O4/c1-3-37-29(35)24-18-30-33(20-11-5-4-6-12-20)27(24)32-28(34)23-17-26(19-10-9-13-21(16-19)36-2)31-25-15-8-7-14-22(23)25/h4-18H,3H2,1-2H3,(H,32,34)
InChIKeyBZVVNZSDUKPUES-UHFFFAOYSA-N
MW492.54 g/mol
LogP5.53
Rot. Bonds7

About ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (PubChem CID 4196922) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
PubChem CID4196922
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Nameethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12
InChIInChI=1S/C29H24N4O4/c1-3-37-29(35)24-18-30-33(20-11-5-4-6-12-20)27(24)32-28(34)23-17-26(19-10-9-13-21(16-19)36-2)31-25-15-8-7-14-22(23)25/h4-18H,3H2,1-2H3,(H,32,34)
InChIKeyBZVVNZSDUKPUES-UHFFFAOYSA-N
XLogP5.53
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4227534
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
ethyl 5-[[2-(3-methylphenoxy)acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 108738717
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858
ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 2359088
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4625982
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
propan-2-yl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4075569
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate (CID 4196922) is ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12.
What is the InChIKey of ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is BZVVNZSDUKPUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c1-3-37-29(35)24-18-30-33(20-11-5-4-6-12-20)27(24)32-28(34)23-17-26(19-10-9-13-21(16-19)36-2)31-25-15-8-7-14-22(23)25/h4-18H,3H2,1-2H3,(H,32,34).
What are the key properties of ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 492.54 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 4196922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).