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

C26H27N5O2 — CID 118342567

IUPAC5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCn1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21
InChIInChI=1S/C26H27N5O2/c1-29-23-15-19(30-8-6-18(7-9-30)31-10-12-33-13-11-31)3-5-21(23)25(32)24-20-4-2-17(16-27)14-22(20)28-26(24)29/h2-5,14-15,18,28H,6-13H2,1H3
InChIKeyRNZOWTZPISMIQT-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.35
Rot. Bonds2

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

5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118342567) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342567
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCn1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21
InChIInChI=1S/C26H27N5O2/c1-29-23-15-19(30-8-6-18(7-9-30)31-10-12-33-13-11-31)3-5-21(23)25(32)24-20-4-2-17(16-27)14-22(20)28-26(24)29/h2-5,14-15,18,28H,6-13H2,1H3
InChIKeyRNZOWTZPISMIQT-UHFFFAOYSA-N
XLogP3.35
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-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-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The IUPAC name of 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118342567) is 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile.
What is the SMILES notation for 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The canonical SMILES for 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is Cn1c2cc(N3CCC(N4CCOCC4)CC3)ccc2c(=O)c2c3ccc(C#N)cc3[nH]c21.
What is the InChIKey of 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is RNZOWTZPISMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-29-23-15-19(30-8-6-18(7-9-30)31-10-12-33-13-11-31)3-5-21(23)25(32)24-20-4-2-17(16-27)14-22(20)28-26(24)29/h2-5,14-15,18,28H,6-13H2,1H3.
What are the key properties of 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile?
5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 441.54 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118342567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).