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

C20H13BrFN3O — CID 118342475

IUPAC2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)[nH]c1c2c(=O)c2cc(Br)c(F)cc2n1C1CCC1
InChIInChI=1S/C20H13BrFN3O/c21-14-7-13-17(8-15(14)22)25(11-2-1-3-11)20-18(19(13)26)12-5-4-10(9-23)6-16(12)24-20/h4-8,11,24H,1-3H2
InChIKeyHPSIRTVGSFQCNQ-UHFFFAOYSA-N
MW410.25 g/mol
LogP5.13
Rot. Bonds1

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

2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342475) has the molecular formula C20H13BrFN3O and a molecular weight of 410.25 g/mol. Its IUPAC name is 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342475
Molecular FormulaC20H13BrFN3O
Molecular Weight410.25 g/mol
Exact Mass409.02
IUPAC Name2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)[nH]c1c2c(=O)c2cc(Br)c(F)cc2n1C1CCC1
InChIInChI=1S/C20H13BrFN3O/c21-14-7-13-17(8-15(14)22)25(11-2-1-3-11)20-18(19(13)26)12-5-4-10(9-23)6-16(12)24-20/h4-8,11,24H,1-3H2
InChIKeyHPSIRTVGSFQCNQ-UHFFFAOYSA-N
XLogP5.13
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.25
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-cyclopentyl-2-ethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342436
3-Fluoro-5-isopropyl-11-oxo-6,11-dihydro-5H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342478
2-bromo-3-fluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342510
3-fluoro-5-methyl-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342588
2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342598
2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342635

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342475) is 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is N#Cc1ccc2c(c1)[nH]c1c2c(=O)c2cc(Br)c(F)cc2n1C1CCC1.
What is the InChIKey of 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is HPSIRTVGSFQCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN3O/c21-14-7-13-17(8-15(14)22)25(11-2-1-3-11)20-18(19(13)26)12-5-4-10(9-23)6-16(12)24-20/h4-8,11,24H,1-3H2.
What are the key properties of 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 410.25 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclobutyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).