2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile

C17H12N4O2 — CID 122230302

IUPAC2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile
SMILESCOc1cc2nc(C#N)n3c4ccccc4nc3c2cc1OC
InChIInChI=1S/C17H12N4O2/c1-22-14-7-10-12(8-15(14)23-2)19-16(9-18)21-13-6-4-3-5-11(13)20-17(10)21/h3-8H,1-2H3
InChIKeyOEJNGSCXINCNSX-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.92
Rot. Bonds2

About 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile

2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile (PubChem CID 122230302) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile
PubChem CID122230302
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile
SMILESCOc1cc2nc(C#N)n3c4ccccc4nc3c2cc1OC
InChIInChI=1S/C17H12N4O2/c1-22-14-7-10-12(8-15(14)23-2)19-16(9-18)21-13-6-4-3-5-11(13)20-17(10)21/h3-8H,1-2H3
InChIKeyOEJNGSCXINCNSX-UHFFFAOYSA-N
XLogP2.92
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile?
The IUPAC name of 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile (CID 122230302) is 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile.
What is the SMILES notation for 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile?
The canonical SMILES for 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile is COc1cc2nc(C#N)n3c4ccccc4nc3c2cc1OC.
What is the InChIKey of 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile?
The InChIKey is OEJNGSCXINCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-22-14-7-10-12(8-15(14)23-2)19-16(9-18)21-13-6-4-3-5-11(13)20-17(10)21/h3-8H,1-2H3.
What are the key properties of 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile?
2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile has a molecular weight of 304.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxybenzimidazolo[1,2-c]quinazoline-6-carbonitrile is sourced from PubChem (CID 122230302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).