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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Related Compounds

3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 126712345
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582675
2-methyloxane;2-(1,2-oxazol-3-ylmethyl)-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 145275567
2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652188
1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
CID 176873172
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 176873283
1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691412
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 176873132
3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole
CID 126666676
2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
CID 139407498
8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
CID 126712421
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 176873022

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).