3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide

C24H29FN4O — CID 70654277

IUPAC3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide
SMILESCC[C@@H](C)N(C)c1nc2cc(C(=O)NC(C)(C)C)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C24H29FN4O/c1-7-15(2)29(6)22-21(16-8-11-18(25)12-9-16)26-19-13-10-17(14-20(19)27-22)23(30)28-24(3,4)5/h8-15H,7H2,1-6H3,(H,28,30)/t15-/m1/s1
InChIKeyQMVIYYWFVNLEIO-OAHLLOKOSA-N
MW408.52 g/mol
LogP5.20
Rot. Bonds5

About 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide

3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide (PubChem CID 70654277) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide
PubChem CID70654277
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide
SMILESCC[C@@H](C)N(C)c1nc2cc(C(=O)NC(C)(C)C)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C24H29FN4O/c1-7-15(2)29(6)22-21(16-8-11-18(25)12-9-16)26-19-13-10-17(14-20(19)27-22)23(30)28-24(3,4)5/h8-15H,7H2,1-6H3,(H,28,30)/t15-/m1/s1
InChIKeyQMVIYYWFVNLEIO-OAHLLOKOSA-N
XLogP5.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide?
The IUPAC name of 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide (CID 70654277) is 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide is CC[C@@H](C)N(C)c1nc2cc(C(=O)NC(C)(C)C)ccc2nc1-c1ccc(F)cc1.
What is the InChIKey of 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide?
The InChIKey is QMVIYYWFVNLEIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-7-15(2)29(6)22-21(16-8-11-18(25)12-9-16)26-19-13-10-17(14-20(19)27-22)23(30)28-24(3,4)5/h8-15H,7H2,1-6H3,(H,28,30)/t15-/m1/s1.
What are the key properties of 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide?
3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-butan-2-yl]-methylamino]-N-tert-butyl-2-(4-fluorophenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 70654277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).