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

C32H41N5O2 — CID 144908655

IUPACethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC.CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C30H35N5O2.C2H6/c1-4-21-16-24-27(17-26(21)34-9-7-22(8-10-34)33-11-13-37-14-12-33)35(19(2)3)30-28(29(24)36)23-6-5-20(18-31)15-25(23)32-30;1-2/h5-6,15-17,19,22,32H,4,7-14H2,1-3H3;1-2H3
InChIKeyBWSJOPDFIHGLIJ-UHFFFAOYSA-N
MW527.71 g/mol
LogP5.98
Rot. Bonds4

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

ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 144908655) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

Compound Nameethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID144908655
Molecular FormulaC32H41N5O2
Molecular Weight527.71 g/mol
Exact Mass527.33
IUPAC Nameethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESCC.CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C30H35N5O2.C2H6/c1-4-21-16-24-27(17-26(21)34-9-7-22(8-10-34)33-11-13-37-14-12-33)35(19(2)3)30-28(29(24)36)23-6-5-20(18-31)15-25(23)32-30;1-2/h5-6,15-17,19,22,32H,4,7-14H2,1-3H3;1-2H3
InChIKeyBWSJOPDFIHGLIJ-UHFFFAOYSA-N
XLogP5.98
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-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

2-bromo-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342593
4-fluoro-2-(hydroxymethyl)-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 126652280
2-ethyl-4-fluoro-8-methyl-3-(4-morpholin-4-ylpiperidin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one
CID 131990433
9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydron
CID 118796890
9-ethyl-6,6-dimethyl-11-methylidene-8-(4-morpholin-4-ylpiperidin-1-yl)-5H-benzo[b]carbazole-3-carbonitrile
CID 118281997
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-prop-1-en-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342625
5-cyclobutyl-4-fluoro-2-methoxy-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342601
2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118347618
2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 160801434
ethane;4-fluoro-2-methoxy-3-[1-(oxetan-3-yl)piperidin-4-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 144908666
5-(8-cyano-2-ethyl-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinolin-3-yl)pyridine-3-sulfonyl fluoride
CID 170297149
1-fluoro-11-oxo-5-propan-2-yl-2-propan-2-yloxy-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 139519046

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-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 ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 144908655) is ethane;2-ethyl-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 ethane;2-ethyl-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 ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile is CC.CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
The InChIKey is BWSJOPDFIHGLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2.C2H6/c1-4-21-16-24-27(17-26(21)34-9-7-22(8-10-34)33-11-13-37-14-12-33)35(19(2)3)30-28(29(24)36)23-6-5-20(18-31)15-25(23)32-30;1-2/h5-6,15-17,19,22,32H,4,7-14H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile?
ethane;2-ethyl-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 527.71 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-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 144908655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).