N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide

C20H25N5O2 — CID 53058255

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3C)c1C
InChIInChI=1S/C20H25N5O2/c1-6-25-14(4)16(12(2)23-25)9-10-21-19(26)15-7-8-18-17(11-15)22-13(3)20(27)24(18)5/h7-8,11H,6,9-10H2,1-5H3,(H,21,26)
InChIKeyJTLZFSXXGKFVHC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 53058255) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
PubChem CID53058255
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3C)c1C
InChIInChI=1S/C20H25N5O2/c1-6-25-14(4)16(12(2)23-25)9-10-21-19(26)15-7-8-18-17(11-15)22-13(3)20(27)24(18)5/h7-8,11H,6,9-10H2,1-5H3,(H,21,26)
InChIKeyJTLZFSXXGKFVHC-UHFFFAOYSA-N
XLogP2.05
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058291
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339970
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
1-benzyl-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 53058393

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide (CID 53058255) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide is CCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3C)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is JTLZFSXXGKFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-6-25-14(4)16(12(2)23-25)9-10-21-19(26)15-7-8-18-17(11-15)22-13(3)20(27)24(18)5/h7-8,11H,6,9-10H2,1-5H3,(H,21,26).
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 53058255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).