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

C20H16FN3O — CID 118342598

IUPAC2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1F
InChIInChI=1S/C20H16FN3O/c1-3-12-8-14-17(9-15(12)21)24(4-2)20-18(19(14)25)13-6-5-11(10-22)7-16(13)23-20/h5-9,23H,3-4H2,1-2H3
InChIKeyMYMYMGDLFVYDDX-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.23
Rot. Bonds2

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

2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342598) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342598
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1F
InChIInChI=1S/C20H16FN3O/c1-3-12-8-14-17(9-15(12)21)24(4-2)20-18(19(14)25)13-6-5-11(10-22)7-16(13)23-20/h5-9,23H,3-4H2,1-2H3
InChIKeyMYMYMGDLFVYDDX-UHFFFAOYSA-N
XLogP4.23
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-propyl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342529
6,6-Dimethyl-11-oxo-8-piperidin-1-yl-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 54586752
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
3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342603
3-(4-methylpiperazin-1-yl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342613
2-ethyl-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342621
2,4-difluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342650
3-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118347646
5,5-dimethyl-11-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)-6H-pyrido[4,3-b]carbazole-8-carbonitrile
CID 66835043
2-(2-Anilino-7-fluoroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783478
2-(2-((2,6-difluorophenyl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783989

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342598) is 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(CC)c2cc1F.
What is the InChIKey of 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is MYMYMGDLFVYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-3-12-8-14-17(9-15(12)21)24(4-2)20-18(19(14)25)13-6-5-11(10-22)7-16(13)23-20/h5-9,23H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 333.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-fluoro-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).