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

C20H23N5O — CID 71730241

IUPAC(6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)(C)C
InChIInChI=1S/C20H23N5O/c1-10-16-13(19(26)22-10)9-15(23-16)12-7-6-8-14-17(12)24-18(11(2)21-14)25-20(3,4)5/h6-10,23H,1-5H3,(H,22,26)(H,24,25)/t10-/m1/s1
InChIKeyIANCYKFILINNSQ-SNVBAGLBSA-N
MW349.44 g/mol
LogP3.95
Rot. Bonds2

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

(6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 71730241) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name(6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID71730241
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)(C)C
InChIInChI=1S/C20H23N5O/c1-10-16-13(19(26)22-10)9-15(23-16)12-7-6-8-14-17(12)24-18(11(2)21-14)25-20(3,4)5/h6-10,23H,1-5H3,(H,22,26)(H,24,25)/t10-/m1/s1
InChIKeyIANCYKFILINNSQ-SNVBAGLBSA-N
XLogP3.95
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

Veliparib
CID 11960529
Macrocyclic Quinoxaline-Pyrrolodihydropiperidinone
CID 73056835
2-(Tert-Butylamino)-3-Methyl-8-[(6r)-6-Methyl-4-Oxo-1,4,5,6-Tetrahydropyrrolo[3,4-B]pyrrol-2-Yl]quinazolin-4(3h)-One
CID 89782019
(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CID 45480520
2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide
CID 11842604
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
CID 11960528
2-(1,2-dimethylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960530
2-[2-methyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960533
2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960630
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960733
2-(2-methylpiperidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960919
2-(2-methyl-1-propylpiperidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960920

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 71730241) is (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC(C)(C)C.
What is the InChIKey of (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is IANCYKFILINNSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H23N5O/c1-10-16-13(19(26)22-10)9-15(23-16)12-7-6-8-14-17(12)24-18(11(2)21-14)25-20(3,4)5/h6-10,23H,1-5H3,(H,22,26)(H,24,25)/t10-/m1/s1.
What are the key properties of (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
(6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 349.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[3-(tert-butylamino)-2-methylquinoxalin-5-yl]-6-methyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 71730241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).