2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

C16H11N5O — CID 126666679

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCc1cc(Cc2nc3c(cnc4ccc(C#N)cc43)[nH]2)no1
InChIInChI=1S/C16H11N5O/c1-9-4-11(21-22-9)6-15-19-14-8-18-13-3-2-10(7-17)5-12(13)16(14)20-15/h2-5,8H,6H2,1H3,(H,19,20)
InChIKeyYBAVJPIRDBCYDX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.87
Rot. Bonds2

About 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 126666679) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID126666679
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCc1cc(Cc2nc3c(cnc4ccc(C#N)cc43)[nH]2)no1
InChIInChI=1S/C16H11N5O/c1-9-4-11(21-22-9)6-15-19-14-8-18-13-3-2-10(7-17)5-12(13)16(14)20-15/h2-5,8H,6H2,1H3,(H,19,20)
InChIKeyYBAVJPIRDBCYDX-UHFFFAOYSA-N
XLogP2.87
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (CID 126666679) is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is Cc1cc(Cc2nc3c(cnc4ccc(C#N)cc43)[nH]2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is YBAVJPIRDBCYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c1-9-4-11(21-22-9)6-15-19-14-8-18-13-3-2-10(7-17)5-12(13)16(14)20-15/h2-5,8H,6H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 126666679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).