5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine

C29H37N7O2 — CID 158905762

IUPAC5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine
SMILESCCn1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21.CN1CCNCC1
InChIInChI=1S/C24H25N5O2.C5H12N2/c1-4-29-19-13-20(28-9-7-27(2)8-10-28)21(31-3)12-17(19)23(30)22-16-6-5-15(14-25)11-18(16)26-24(22)29;1-7-4-2-6-3-5-7/h5-6,11-13,26H,4,7-10H2,1-3H3;6H,2-5H2,1H3
InChIKeyJGAHCFIPIHCTFH-UHFFFAOYSA-N
MW515.66 g/mol
LogP2.81
Rot. Bonds3

About 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine

5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine (PubChem CID 158905762) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine.

Molecular Properties

Compound Name5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine
PubChem CID158905762
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC Name5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine
SMILESCCn1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21.CN1CCNCC1
InChIInChI=1S/C24H25N5O2.C5H12N2/c1-4-29-19-13-20(28-9-7-27(2)8-10-28)21(31-3)12-17(19)23(30)22-16-6-5-15(14-25)11-18(16)26-24(22)29;1-7-4-2-6-3-5-7/h5-6,11-13,26H,4,7-10H2,1-3H3;6H,2-5H2,1H3
InChIKeyJGAHCFIPIHCTFH-UHFFFAOYSA-N
XLogP2.81
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine?
The IUPAC name of 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine (CID 158905762) is 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine.
What is the SMILES notation for 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine?
The canonical SMILES for 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine is CCn1c2cc(N3CCN(C)CC3)c(OC)cc2c(=O)c2c3ccc(C#N)cc3[nH]c21.CN1CCNCC1.
What is the InChIKey of 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine?
The InChIKey is JGAHCFIPIHCTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C5H12N2/c1-4-29-19-13-20(28-9-7-27(2)8-10-28)21(31-3)12-17(19)23(30)22-16-6-5-15(14-25)11-18(16)26-24(22)29;1-7-4-2-6-3-5-7/h5-6,11-13,26H,4,7-10H2,1-3H3;6H,2-5H2,1H3.
What are the key properties of 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine?
5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine has a molecular weight of 515.66 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-3-(4-methylpiperazin-1-yl)-11-oxo-6H-indolo[2,3-b]quinoline-8-carbonitrile;1-methylpiperazine is sourced from PubChem (CID 158905762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).