2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

C19H21N5O — CID 71730367

IUPAC2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)CNC4=O)c2nc1NC(C)(C)C
InChIInChI=1S/C19H21N5O/c1-10-17(24-19(2,3)4)23-16-11(6-5-7-13(16)21-10)14-8-12-15(22-14)9-20-18(12)25/h5-8,22H,9H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyZBRMFNPKIONVTR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.39
Rot. Bonds2

About 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 71730367) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID71730367
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)CNC4=O)c2nc1NC(C)(C)C
InChIInChI=1S/C19H21N5O/c1-10-17(24-19(2,3)4)23-16-11(6-5-7-13(16)21-10)14-8-12-15(22-14)9-20-18(12)25/h5-8,22H,9H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyZBRMFNPKIONVTR-UHFFFAOYSA-N
XLogP3.39
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 71730367) is 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is Cc1nc2cccc(-c3cc4c([nH]3)CNC4=O)c2nc1NC(C)(C)C.
What is the InChIKey of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is ZBRMFNPKIONVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-10-17(24-19(2,3)4)23-16-11(6-5-7-13(16)21-10)14-8-12-15(22-14)9-20-18(12)25/h5-8,22H,9H2,1-4H3,(H,20,25)(H,23,24).
What are the key properties of 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 335.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 71730367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).