N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide

C19H24N4O2 — CID 110746070

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CC(=O)N(C(C)(C)C)C3)cc2nc1C
InChIInChI=1S/C19H24N4O2/c1-11-12(2)21-16-8-13(6-7-15(16)20-11)18(25)22-14-9-17(24)23(10-14)19(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,22,25)
InChIKeyBJJYPRKOWWUOEC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.38
Rot. Bonds2

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110746070) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110746070
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CC(=O)N(C(C)(C)C)C3)cc2nc1C
InChIInChI=1S/C19H24N4O2/c1-11-12(2)21-16-8-13(6-7-15(16)20-11)18(25)22-14-9-17(24)23(10-14)19(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,22,25)
InChIKeyBJJYPRKOWWUOEC-UHFFFAOYSA-N
XLogP2.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide
CID 110746066
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3,4-trifluorobenzamide
CID 110736909
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
CID 119945951
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide (CID 110746070) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3CC(=O)N(C(C)(C)C)C3)cc2nc1C.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is BJJYPRKOWWUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-12(2)21-16-8-13(6-7-15(16)20-11)18(25)22-14-9-17(24)23(10-14)19(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,22,25).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110746070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).