2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline

C72H51BrClF4N9O — CID 144941321

About 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline

2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline (PubChem CID 144941321) has the molecular formula C72H51BrClF4N9O and a molecular weight of 1249.61 g/mol. Its IUPAC name is 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline.

Molecular Properties

• Compound Name: 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline
• PubChem CID: 144941321
• Molecular Formula: C72H51BrClF4N9O
• Molecular Weight: 1249.61 g/mol
• Exact Mass: 1247.30
• IUPAC Name: 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline
• SMILES: Brc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.CC.CNC(=O)c1cccc2nc(-c3c[nH]c4c(F)cc(F)cc34)ccc12.Fc1ccc2ccc(-c3c[nH]c4c(Cl)cccc34)nc2c1.Fc1cccc2ccc(-c3c[nH]c4ccccc34)nc12
• InChI: InChI=1S/C19H13F2N3O.C17H11BrN2.C17H10ClFN2.C17H11FN2.C2H6/c1-22-19(25)12-3-2-4-16-11(12)5-6-17(24-16)14-9-23-18-13(14)7-10(20)8-15(18)21;18-14-6-3-5-12-13(10-19-17(12)14)16-9-8-11-4-1-2-7-15(11)20-16;18-14-3-1-2-12-13(9-20-17(12)14)15-7-5-10-4-6-11(19)8-16(10)21-15;18-14-6-3-4-11-8-9-16(20-17(11)14)13-10-19-15-7-2-1-5-12(13)15;1-2/h2-9,23H,1H3,(H,22,25);1-10,19H;1-9,20H;1-10,19H;1-2H3
• InChIKey: KTRAZCGEFHPDIS-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 143.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1249.61
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline?

The IUPAC name of 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline (CID 144941321) is 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline.

What is the SMILES notation for 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline?

The canonical SMILES for 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline is Brc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.CC.CNC(=O)c1cccc2nc(-c3c[nH]c4c(F)cc(F)cc34)ccc12.Fc1ccc2ccc(-c3c[nH]c4c(Cl)cccc34)nc2c1.Fc1cccc2ccc(-c3c[nH]c4ccccc34)nc12.

What is the InChIKey of 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline?

The InChIKey is KTRAZCGEFHPDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O.C17H11BrN2.C17H10ClFN2.C17H11FN2.C2H6/c1-22-19(25)12-3-2-4-16-11(12)5-6-17(24-16)14-9-23-18-13(14)7-10(20)8-15(18)21;18-14-6-3-5-12-13(10-19-17(12)14)16-9-8-11-4-1-2-7-15(11)20-16;18-14-3-1-2-12-13(9-20-17(12)14)15-7-5-10-4-6-11(19)8-16(10)21-15;18-14-6-3-4-11-8-9-16(20-17(11)14)13-10-19-15-7-2-1-5-12(13)15;1-2/h2-9,23H,1H3,(H,22,25);1-10,19H;1-9,20H;1-10,19H;1-2H3.

What are the key properties of 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline?

2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline has a molecular weight of 1249.61 g/mol, XLogP of 19.89, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-bromo-1H-indol-3-yl)quinoline;2-(7-chloro-1H-indol-3-yl)-7-fluoroquinoline;2-(5,7-difluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;ethane;8-fluoro-2-(1H-indol-3-yl)quinoline is sourced from PubChem (CID 144941321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).