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

C28H31N5O2 — CID 118342603

IUPAC3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21
InChIInChI=1S/C28H31N5O2/c1-18(2)33-25-16-21(31-9-7-20(8-10-31)32-11-13-35-14-12-32)4-6-23(25)27(34)26-22-5-3-19(17-29)15-24(22)30-28(26)33/h3-6,15-16,18,20,30H,7-14H2,1-2H3
InChIKeyOORSPMSOZZAJHG-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.39
Rot. Bonds3

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

3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342603) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342603
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC(C)n1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21
InChIInChI=1S/C28H31N5O2/c1-18(2)33-25-16-21(31-9-7-20(8-10-31)32-11-13-35-14-12-32)4-6-23(25)27(34)26-22-5-3-19(17-29)15-24(22)30-28(26)33/h3-6,15-16,18,20,30H,7-14H2,1-2H3
InChIKeyOORSPMSOZZAJHG-UHFFFAOYSA-N
XLogP4.39
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Alectinib
CID 49806720
Alectinib Hydrochloride
CID 53239799
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-propyl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342529
6,6,9-Trimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 49806722
6,6-Dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
CID 57396463
6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-9-propyl-5H-benzo[b]carbazole-3-carbonitrile
CID 57403410
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-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342603) is 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC(C)n1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21.
What is the InChIKey of 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is OORSPMSOZZAJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-18(2)33-25-16-21(31-9-7-20(8-10-31)32-11-13-35-14-12-32)4-6-23(25)27(34)26-22-5-3-19(17-29)15-24(22)30-28(26)33/h3-6,15-16,18,20,30H,7-14H2,1-2H3.
What are the key properties of 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 469.59 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).