2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

C19H13BrFN3O — CID 118342510

IUPAC2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2cc(F)c(Br)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21
InChIInChI=1S/C19H13BrFN3O/c1-9(2)24-16-7-14(21)13(20)6-12(16)18(25)17-11-4-3-10(8-22)5-15(11)23-19(17)24/h3-7,9,23H,1-2H3
InChIKeyHJBBQQVVZZARSZ-UHFFFAOYSA-N
MW398.24 g/mol
LogP4.99
Rot. Bonds1

About 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342510) has the molecular formula C19H13BrFN3O and a molecular weight of 398.24 g/mol. Its IUPAC name is 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342510
Molecular FormulaC19H13BrFN3O
Molecular Weight398.24 g/mol
Exact Mass397.02
IUPAC Name2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2cc(F)c(Br)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21
InChIInChI=1S/C19H13BrFN3O/c1-9(2)24-16-7-14(21)13(20)6-12(16)18(25)17-11-4-3-10(8-22)5-15(11)23-19(17)24/h3-7,9,23H,1-2H3
InChIKeyHJBBQQVVZZARSZ-UHFFFAOYSA-N
XLogP4.99
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile with MolForge

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Related Compounds

3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342418
4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342602
2-bromo-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342636
2,4-difluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342650
2-fluoro-5-methyl-6H-indolo[2,3-b]quinolin-11-one
CID 71574152
2-Fluoro-5,6-dihydroindolo[2,3-b]quinolin-11-one
CID 139219459
5-methyl-6H-indolo[2,3-b]quinolin-11-one
CID 12205647
methyl 2-(4-bromo-3-fluoro-N-propan-2-ylanilino)-6-cyano-1H-indole-3-carboxylate
CID 118342430
5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342436
2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342475
3-Fluoro-5-isopropyl-11-oxo-6,11-dihydro-5H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342478
3-fluoro-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342510) is 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC(C)n1c2cc(F)c(Br)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21.
What is the InChIKey of 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is HJBBQQVVZZARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O/c1-9(2)24-16-7-14(21)13(20)6-12(16)18(25)17-11-4-3-10(8-22)5-15(11)23-19(17)24/h3-7,9,23H,1-2H3.
What are the key properties of 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 398.24 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).