ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate

C22H23N5O3S — CID 26276113

IUPACethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN(C)Cc1cscn1
InChIInChI=1S/C22H23N5O3S/c1-4-30-22(29)17-10-24-27(20(17)12-25(2)11-15-13-31-14-23-15)19-9-21(28)26(3)18-8-6-5-7-16(18)19/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyYGXGLZUKMNJGAN-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.99
Rot. Bonds7

About ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate

ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate (PubChem CID 26276113) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate
PubChem CID26276113
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Nameethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN(C)Cc1cscn1
InChIInChI=1S/C22H23N5O3S/c1-4-30-22(29)17-10-24-27(20(17)12-25(2)11-15-13-31-14-23-15)19-9-21(28)26(3)18-8-6-5-7-16(18)19/h5-10,13-14H,4,11-12H2,1-3H3
InChIKeyYGXGLZUKMNJGAN-UHFFFAOYSA-N
XLogP2.99
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 118757053
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ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate (CID 26276113) is ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN(C)Cc1cscn1.
What is the InChIKey of ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
The InChIKey is YGXGLZUKMNJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-4-30-22(29)17-10-24-27(20(17)12-25(2)11-15-13-31-14-23-15)19-9-21(28)26(3)18-8-6-5-7-16(18)19/h5-10,13-14H,4,11-12H2,1-3H3.
What are the key properties of ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate has a molecular weight of 437.53 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 26276113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).