2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C24H27N5O — CID 90035175

About 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 90035175) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 90035175
• Molecular Formula: C24H27N5O
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.22
• IUPAC Name: 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: C=CCC1CNC(=O)c2cc(-c3cccc4nc(C)c(NC(C)(C)C=C)nc34)[nH]c21
• InChI: InChI=1S/C24H27N5O/c1-6-9-15-13-25-23(30)17-12-19(27-20(15)17)16-10-8-11-18-21(16)28-22(14(3)26-18)29-24(4,5)7-2/h6-8,10-12,15,27H,1-2,9,13H2,3-5H3,(H,25,30)(H,28,29)
• InChIKey: TUPRLMMRPFFJJT-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 90035175) is 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is C=CCC1CNC(=O)c2cc(-c3cccc4nc(C)c(NC(C)(C)C=C)nc34)[nH]c21.

What is the InChIKey of 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is TUPRLMMRPFFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-6-9-15-13-25-23(30)17-12-19(27-20(15)17)16-10-8-11-18-21(16)28-22(14(3)26-18)29-24(4,5)7-2/h6-8,10-12,15,27H,1-2,9,13H2,3-5H3,(H,25,30)(H,28,29).

What are the key properties of 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 401.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-3-(2-methylbut-3-en-2-ylamino)quinoxalin-5-yl]-7-prop-2-enyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 90035175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).