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

C21H27N5O2 — CID 53058291

IUPAC1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)c1C
InChIInChI=1S/C21H27N5O2/c1-6-25-19-9-8-16(12-18(19)23-14(4)21(25)28)20(27)22-11-10-17-13(3)24-26(7-2)15(17)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,22,27)
InChIKeyGZDHGXUOEGMFRI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.53
Rot. Bonds6

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

1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 53058291) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID53058291
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)c1C
InChIInChI=1S/C21H27N5O2/c1-6-25-19-9-8-16(12-18(19)23-14(4)21(25)28)20(27)22-11-10-17-13(3)24-26(7-2)15(17)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,22,27)
InChIKeyGZDHGXUOEGMFRI-UHFFFAOYSA-N
XLogP2.53
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058255
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34306532
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
1-ethyl-3-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxoquinoxaline-6-carboxamide
CID 46426625
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30830104
1-ethyl-3-methyl-N-[2-(3-methylphenoxy)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 9489188
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 166409968
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 53058291) is 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1nc(C)c(CCNC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)c1C.
What is the InChIKey of 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is GZDHGXUOEGMFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-6-25-19-9-8-16(12-18(19)23-14(4)21(25)28)20(27)22-11-10-17-13(3)24-26(7-2)15(17)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,22,27).
What are the key properties of 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide?
1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 53058291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).