2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

C18H13N5O2S — CID 170582675

IUPAC2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCS(=O)(=O)c1ccc(Cc2nc3c(cnc4ccc(C#N)cc43)[nH]2)nc1
InChIInChI=1S/C18H13N5O2S/c1-26(24,25)13-4-3-12(20-9-13)7-17-22-16-10-21-15-5-2-11(8-19)6-14(15)18(16)23-17/h2-6,9-10H,7H2,1H3,(H,22,23)
InChIKeyMYJLVXSUSUMMGR-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.37
Rot. Bonds3

About 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 170582675) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID170582675
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCS(=O)(=O)c1ccc(Cc2nc3c(cnc4ccc(C#N)cc43)[nH]2)nc1
InChIInChI=1S/C18H13N5O2S/c1-26(24,25)13-4-3-12(20-9-13)7-17-22-16-10-21-15-5-2-11(8-19)6-14(15)18(16)23-17/h2-6,9-10H,7H2,1H3,(H,22,23)
InChIKeyMYJLVXSUSUMMGR-UHFFFAOYSA-N
XLogP2.37
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
CID 176873172
2-methyloxane;2-(1,2-oxazol-3-ylmethyl)-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 145275567
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 176873283
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 176873022
2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652188
8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
CID 126712421
2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126712441
3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 126712345
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 75391029
2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
CID 126666794

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile (CID 170582675) is 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is CS(=O)(=O)c1ccc(Cc2nc3c(cnc4ccc(C#N)cc43)[nH]2)nc1.
What is the InChIKey of 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is MYJLVXSUSUMMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c1-26(24,25)13-4-3-12(20-9-13)7-17-22-16-10-21-15-5-2-11(8-19)6-14(15)18(16)23-17/h2-6,9-10H,7H2,1H3,(H,22,23).
What are the key properties of 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile?
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 363.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 170582675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).