ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate

C22H26N4O5 — CID 46301544

IUPACethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C(CC)n1c(=O)cc(C)c2cccc(OC)c21
InChIInChI=1S/C22H26N4O5/c1-6-16(21(28)24-20-15(12-23-25(20)4)22(29)31-7-2)26-18(27)11-13(3)14-9-8-10-17(30-5)19(14)26/h8-12,16H,6-7H2,1-5H3,(H,24,28)
InChIKeyPOXIEJDVNACNLZ-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.82
Rot. Bonds7

About ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate

ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate (PubChem CID 46301544) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
PubChem CID46301544
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Nameethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C(CC)n1c(=O)cc(C)c2cccc(OC)c21
InChIInChI=1S/C22H26N4O5/c1-6-16(21(28)24-20-15(12-23-25(20)4)22(29)31-7-2)26-18(27)11-13(3)14-9-8-10-17(30-5)19(14)26/h8-12,16H,6-7H2,1-5H3,(H,24,28)
InChIKeyPOXIEJDVNACNLZ-UHFFFAOYSA-N
XLogP2.82
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501
N-(2,5-dimethoxyphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301526
ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
CID 46301226
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)butanamide
CID 46301214
8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
CID 46302487
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301224
ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46301610
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768507
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
CID 46301191
ethyl 1-methyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate
CID 19553613
ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 110439670
ethyl 5-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761505

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate (CID 46301544) is ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C(CC)n1c(=O)cc(C)c2cccc(OC)c21.
What is the InChIKey of ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate?
The InChIKey is POXIEJDVNACNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-6-16(21(28)24-20-15(12-23-25(20)4)22(29)31-7-2)26-18(27)11-13(3)14-9-8-10-17(30-5)19(14)26/h8-12,16H,6-7H2,1-5H3,(H,24,28).
What are the key properties of ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 46301544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).