4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile

C23H19N7O — CID 10294947

IUPAC4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile
SMILESCc1cc2cc(Nc3ccnc4cc(OCCn5ccnn5)c(C#N)cc34)ccc2[nH]1
InChIInChI=1S/C23H19N7O/c1-15-10-16-11-18(2-3-20(16)27-15)28-21-4-5-25-22-13-23(17(14-24)12-19(21)22)31-9-8-30-7-6-26-29-30/h2-7,10-13,27H,8-9H2,1H3,(H,25,28)
InChIKeyRCENIQLSAIMJLK-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.31
Rot. Bonds6

About 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile

4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile (PubChem CID 10294947) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile
PubChem CID10294947
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile
SMILESCc1cc2cc(Nc3ccnc4cc(OCCn5ccnn5)c(C#N)cc34)ccc2[nH]1
InChIInChI=1S/C23H19N7O/c1-15-10-16-11-18(2-3-20(16)27-15)28-21-4-5-25-22-13-23(17(14-24)12-19(21)22)31-9-8-30-7-6-26-29-30/h2-7,10-13,27H,8-9H2,1H3,(H,25,28)
InChIKeyRCENIQLSAIMJLK-UHFFFAOYSA-N
XLogP4.31
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile?
The IUPAC name of 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile (CID 10294947) is 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile?
The canonical SMILES for 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile is Cc1cc2cc(Nc3ccnc4cc(OCCn5ccnn5)c(C#N)cc34)ccc2[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile?
The InChIKey is RCENIQLSAIMJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-15-10-16-11-18(2-3-20(16)27-15)28-21-4-5-25-22-13-23(17(14-24)12-19(21)22)31-9-8-30-7-6-26-29-30/h2-7,10-13,27H,8-9H2,1H3,(H,25,28).
What are the key properties of 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile?
4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile has a molecular weight of 409.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile is sourced from PubChem (CID 10294947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).