2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

C19H12F3N3O — CID 118342635

IUPAC2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2cc(F)c(F)c(F)c21
InChIInChI=1S/C19H12F3N3O/c1-8(2)25-17-11(6-12(20)15(21)16(17)22)18(26)14-10-4-3-9(7-23)5-13(10)24-19(14)25/h3-6,8,24H,1-2H3
InChIKeyUGGBCNCZZXMRSB-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.51
Rot. Bonds1

About 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342635) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342635
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2cc(F)c(F)c(F)c21
InChIInChI=1S/C19H12F3N3O/c1-8(2)25-17-11(6-12(20)15(21)16(17)22)18(26)14-10-4-3-9(7-23)5-13(10)24-19(14)25/h3-6,8,24H,1-2H3
InChIKeyUGGBCNCZZXMRSB-UHFFFAOYSA-N
XLogP4.51
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-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-2-propyl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342529
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
5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342567
5,6-Dihydro-11H-quinindolin-11-one
CID 12205645
1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone
CID 404609

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342635) is 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2cc(F)c(F)c(F)c21.
What is the InChIKey of 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is UGGBCNCZZXMRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c1-8(2)25-17-11(6-12(20)15(21)16(17)22)18(26)14-10-4-3-9(7-23)5-13(10)24-19(14)25/h3-6,8,24H,1-2H3.
What are the key properties of 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 355.32 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).