N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide

C42H36Br2N8O2 — CID 54086913

About N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide

N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide (PubChem CID 54086913) has the molecular formula C42H36Br2N8O2 and a molecular weight of 844.61 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
• PubChem CID: 54086913
• Molecular Formula: C42H36Br2N8O2
• Molecular Weight: 844.61 g/mol
• Exact Mass: 842.13
• IUPAC Name: N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
• SMILES: NCCN(CCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12)CCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12
• InChI: InChI=1S/C42H36Br2N8O2/c43-25-9-11-35-29(19-25)33(23-48-35)39-21-31(27-5-1-3-7-37(27)50-39)41(53)46-14-17-52(16-13-45)18-15-47-42(54)32-22-40(51-38-8-4-2-6-28(32)38)34-24-49-36-12-10-26(44)20-30(34)36/h1-12,19-24,48-49H,13-18,45H2,(H,46,53)(H,47,54)
• InChIKey: MRDHJNCZLWKCKD-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 144.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.61
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?

The IUPAC name of N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide (CID 54086913) is N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide.

What is the SMILES notation for N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?

The canonical SMILES for N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide is NCCN(CCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12)CCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2ccccc12.

What is the InChIKey of N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?

The InChIKey is MRDHJNCZLWKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36Br2N8O2/c43-25-9-11-35-29(19-25)33(23-48-35)39-21-31(27-5-1-3-7-37(27)50-39)41(53)46-14-17-52(16-13-45)18-15-47-42(54)32-22-40(51-38-8-4-2-6-28(32)38)34-24-49-36-12-10-26(44)20-30(34)36/h1-12,19-24,48-49H,13-18,45H2,(H,46,53)(H,47,54).

What are the key properties of N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide?

N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide has a molecular weight of 844.61 g/mol, XLogP of 8.03, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 54086913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).