2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile

C14H9N5 — CID 166795351

IUPAC2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
SMILESCn1c(CC#N)nc2cnc3ccc(C#N)cc3c21
InChIInChI=1S/C14H9N5/c1-19-13(4-5-15)18-12-8-17-11-3-2-9(7-16)6-10(11)14(12)19/h2-3,6,8H,4H2,1H3
InChIKeyBUBXXBFAUXYCKF-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.06
Rot. Bonds1

About 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile

2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 166795351) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID166795351
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
SMILESCn1c(CC#N)nc2cnc3ccc(C#N)cc3c21
InChIInChI=1S/C14H9N5/c1-19-13(4-5-15)18-12-8-17-11-3-2-9(7-16)6-10(11)14(12)19/h2-3,6,8H,4H2,1H3
InChIKeyBUBXXBFAUXYCKF-UHFFFAOYSA-N
XLogP2.06
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795435
2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane
CID 145275527
1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691412
1-[(2S,6R)-2,6-dimethyloxan-4-yl]-2-(1,3-thiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666714
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)acetonitrile
CID 84639418
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011
2-(1,5,7-trimethylbenzimidazol-2-yl)acetonitrile
CID 84619631
2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 126666563
2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423684
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile (CID 166795351) is 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile is Cn1c(CC#N)nc2cnc3ccc(C#N)cc3c21.
What is the InChIKey of 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is BUBXXBFAUXYCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c1-19-13(4-5-15)18-12-8-17-11-3-2-9(7-16)6-10(11)14(12)19/h2-3,6,8H,4H2,1H3.
What are the key properties of 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile?
2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-1-methylimidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 166795351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).