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

C27H29N5O — CID 118342625

IUPAC3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-prop-1-en-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESC=C(C)c1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1
InChIInChI=1S/C27H29N5O/c1-16(2)20-13-21-24(14-23(20)31-10-8-30(5)9-11-31)32(17(3)4)27-25(26(21)33)19-7-6-18(15-28)12-22(19)29-27/h6-7,12-14,17,29H,1,8-11H2,2-5H3
InChIKeyZKBKSUIVJGLMNZ-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.87
Rot. Bonds3

About 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

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 (PubChem CID 118342625) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-prop-1-en-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
PubChem CID118342625
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-prop-1-en-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
SMILESC=C(C)c1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1
InChIInChI=1S/C27H29N5O/c1-16(2)20-13-21-24(14-23(20)31-10-8-30(5)9-11-31)32(17(3)4)27-25(26(21)33)19-7-6-18(15-28)12-22(19)29-27/h6-7,12-14,17,29H,1,8-11H2,2-5H3
InChIKeyZKBKSUIVJGLMNZ-UHFFFAOYSA-N
XLogP4.87
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-fluoro-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342493
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
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
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
5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine
CID 158905762
3-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluoro-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 134536766
4-fluoro-3-[(3R)-3-iodo-4-methylpiperazin-1-yl]-2-methoxy-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 163724380
8-cyano-3-(3-fluorosulfonyloxyphenyl)-11-oxo-2,5-di(propan-2-yl)-6H-indolo[2,3-b]quinoline
CID 170296619
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
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
3-[8-cyano-11-oxo-5-propan-2-yl-2-(trifluoromethyl)-6H-indolo[2,3-b]quinolin-3-yl]benzenesulfonyl fluoride
CID 170295945
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)c1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2cc1N1CCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is ZKBKSUIVJGLMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-16(2)20-13-21-24(14-23(20)31-10-8-30(5)9-11-31)32(17(3)4)27-25(26(21)33)19-7-6-18(15-28)12-22(19)29-27/h6-7,12-14,17,29H,1,8-11H2,2-5H3.
What are the key properties of 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?
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 has a molecular weight of 439.56 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118342625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).