6-methylindolo[3,2-b]quinoxaline-3-carbonitrile

C16H10N4 — CID 23354049

IUPAC6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCn1c2ccccc2c2nc3ccc(C#N)cc3nc21
InChIInChI=1S/C16H10N4/c1-20-14-5-3-2-4-11(14)15-16(20)19-13-8-10(9-17)6-7-12(13)18-15/h2-8H,1H3
InChIKeyXBYQPJFCKNHUPQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.15
Rot. Bonds

About 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile

6-methylindolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 23354049) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID23354049
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
SMILESCn1c2ccccc2c2nc3ccc(C#N)cc3nc21
InChIInChI=1S/C16H10N4/c1-20-14-5-3-2-4-11(14)15-16(20)19-13-8-10(9-17)6-7-12(13)18-15/h2-8H,1H3
InChIKeyXBYQPJFCKNHUPQ-UHFFFAOYSA-N
XLogP3.15
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
CID 91283468
5-methyl-11-trimethylsilylindolo[2,3-b]quinoline-9-carbonitrile
CID 11023983
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
6-methylindolo[3,2-b]quinoxaline-8-carbaldehyde
CID 23354029
10-methylindolo[3,2-b]quinoline
CID 10681089
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
benzo[c]cinnoline-3-carbonitrile
CID 169092864
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561

Frequently Asked Questions

What is the IUPAC name of 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile (CID 23354049) is 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile is Cn1c2ccccc2c2nc3ccc(C#N)cc3nc21.
What is the InChIKey of 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is XBYQPJFCKNHUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-20-14-5-3-2-4-11(14)15-16(20)19-13-8-10(9-17)6-7-12(13)18-15/h2-8H,1H3.
What are the key properties of 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile?
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylindolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 23354049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).