4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

C24H24FN5O — CID 118342602

IUPAC4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2ccc(N3CCN(C)CC3)c(F)c21
InChIInChI=1S/C24H24FN5O/c1-14(2)30-22-17(6-7-19(21(22)25)29-10-8-28(3)9-11-29)23(31)20-16-5-4-15(13-26)12-18(16)27-24(20)30/h4-7,12,14,27H,8-11H2,1-3H3
InChIKeyLGVFDBFWIDLWED-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.98
Rot. Bonds2

About 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile

4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342602) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342602
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2ccc(N3CCN(C)CC3)c(F)c21
InChIInChI=1S/C24H24FN5O/c1-14(2)30-22-17(6-7-19(21(22)25)29-10-8-28(3)9-11-29)23(31)20-16-5-4-15(13-26)12-18(16)27-24(20)30/h4-7,12,14,27H,8-11H2,1-3H3
InChIKeyLGVFDBFWIDLWED-UHFFFAOYSA-N
XLogP3.98
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile with MolForge

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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
3-(1H-Benzimidazol-2-yl)-1-ethyl-6-fluoro-7-(1-piperazinyl)-4(1H)-quinolinone
CID 44255038
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342418
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-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
3-(4-methylpiperazin-1-yl)-2-(2-methylpropyl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118347646
4-fluoro-6,6-dimethyl-11-oxo-8-(4-propan-2-ylpiperazin-1-yl)-5H-benzo[b]carbazole-3-carbonitrile
CID 66834762
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342602) is 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC(C)n1c2[nH]c3cc(C#N)ccc3c2c(=O)c2ccc(N3CCN(C)CC3)c(F)c21.
What is the InChIKey of 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is LGVFDBFWIDLWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-14(2)30-22-17(6-7-19(21(22)25)29-10-8-28(3)9-11-29)23(31)20-16-5-4-15(13-26)12-18(16)27-24(20)30/h4-7,12,14,27H,8-11H2,1-3H3.
What are the key properties of 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 417.49 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).