3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C32H34BrN7O4 — CID 175883875

About 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 175883875) has the molecular formula C32H34BrN7O4 and a molecular weight of 660.57 g/mol. Its IUPAC name is 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 175883875
• Molecular Formula: C32H34BrN7O4
• Molecular Weight: 660.57 g/mol
• Exact Mass: 659.19
• IUPAC Name: 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: CC(=O)N1c2ccc(-c3ccc(C(=O)NCCc4c(C(N)=O)nc5c(N6CCOCC6)nc(Br)cn45)cc3)cc2CCC1C
• InChI: InChI=1S/C32H34BrN7O4/c1-19-3-4-24-17-23(9-10-25(24)40(19)20(2)41)21-5-7-22(8-6-21)32(43)35-12-11-26-28(29(34)42)37-31-30(36-27(33)18-39(26)31)38-13-15-44-16-14-38/h5-10,17-19H,3-4,11-16H2,1-2H3,(H2,34,42)(H,35,43)
• InChIKey: DXSMJCSOVIMQNB-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 135.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.57
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 175883875) is 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is CC(=O)N1c2ccc(-c3ccc(C(=O)NCCc4c(C(N)=O)nc5c(N6CCOCC6)nc(Br)cn45)cc3)cc2CCC1C.

What is the InChIKey of 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is DXSMJCSOVIMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34BrN7O4/c1-19-3-4-24-17-23(9-10-25(24)40(19)20(2)41)21-5-7-22(8-6-21)32(43)35-12-11-26-28(29(34)42)37-31-30(36-27(33)18-39(26)31)38-13-15-44-16-14-38/h5-10,17-19H,3-4,11-16H2,1-2H3,(H2,34,42)(H,35,43).

What are the key properties of 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?

3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 660.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 175883875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).