2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide

C17H19Cl3N4O — CID 171505485

IUPAC2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1
InChIInChI=1S/C17H19Cl3N4O/c1-17(2,3)16(25)21-9-4-5-24(8-9)15-14(20)22-12-6-10(18)11(19)7-13(12)23-15/h6-7,9H,4-5,8H2,1-3H3,(H,21,25)
InChIKeyXWPWIYBTBZVCNF-UHFFFAOYSA-N
MW401.73 g/mol
LogP4.33
Rot. Bonds2

About 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide

2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide (PubChem CID 171505485) has the molecular formula C17H19Cl3N4O and a molecular weight of 401.73 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide
PubChem CID171505485
Molecular FormulaC17H19Cl3N4O
Molecular Weight401.73 g/mol
Exact Mass400.06
IUPAC Name2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1
InChIInChI=1S/C17H19Cl3N4O/c1-17(2,3)16(25)21-9-4-5-24(8-9)15-14(20)22-12-6-10(18)11(19)7-13(12)23-15/h6-7,9H,4-5,8H2,1-3H3,(H,21,25)
InChIKeyXWPWIYBTBZVCNF-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357365
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-[1-[3-(3-methoxyphenyl)quinoxalin-2-yl]pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 171505297
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348936
2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
CID 163356401
tert-butyl N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 133293163

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide (CID 171505485) is 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide is CC(C)(C)C(=O)NC1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C1.
What is the InChIKey of 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is XWPWIYBTBZVCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl3N4O/c1-17(2,3)16(25)21-9-4-5-24(8-9)15-14(20)22-12-6-10(18)11(19)7-13(12)23-15/h6-7,9H,4-5,8H2,1-3H3,(H,21,25).
What are the key properties of 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide?
2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 401.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3,6,7-trichloroquinoxalin-2-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 171505485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).