2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide

C40H39ClN10O4 — CID 158272332

About 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide

2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide (PubChem CID 158272332) has the molecular formula C40H39ClN10O4 and a molecular weight of 759.27 g/mol. Its IUPAC name is 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide
• PubChem CID: 158272332
• Molecular Formula: C40H39ClN10O4
• Molecular Weight: 759.27 g/mol
• Exact Mass: 758.28
• IUPAC Name: 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide
• SMILES: Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N.Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(=O)C1CC1.O=C(Cl)C1CC1
• InChI: InChI=1S/C20H19N5O2.C16H15N5O.C4H5ClO/c1-10-18(25-19(26)11-5-6-11)24-17-12(3-2-4-15(17)22-10)16-9-13-14(23-16)7-8-21-20(13)27;1-8-15(17)21-14-9(3-2-4-12(14)19-8)13-7-10-11(20-13)5-6-18-16(10)22;5-4(6)3-1-2-3/h2-4,9,11,23H,5-8H2,1H3,(H,21,27)(H,24,25,26);2-4,7,20H,5-6H2,1H3,(H2,17,21)(H,18,22);3H,1-2H2
• InChIKey: GJEPZXUBJIVQAE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 213.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.27
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide?

The IUPAC name of 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide (CID 158272332) is 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide is Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N.Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(=O)C1CC1.O=C(Cl)C1CC1.

What is the InChIKey of 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide?

The InChIKey is GJEPZXUBJIVQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2.C16H15N5O.C4H5ClO/c1-10-18(25-19(26)11-5-6-11)24-17-12(3-2-4-15(17)22-10)16-9-13-14(23-16)7-8-21-20(13)27;1-8-15(17)21-14-9(3-2-4-12(14)19-8)13-7-10-11(20-13)5-6-18-16(10)22;5-4(6)3-1-2-3/h2-4,9,11,23H,5-8H2,1H3,(H,21,27)(H,24,25,26);2-4,7,20H,5-6H2,1H3,(H2,17,21)(H,18,22);3H,1-2H2.

What are the key properties of 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide?

2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide has a molecular weight of 759.27 g/mol, XLogP of 5.53, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-2-methylquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclopropanecarbonyl chloride;N-[3-methyl-8-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)quinoxalin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 158272332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).