2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

C23H25FN4O — CID 142423687

IUPAC2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(C3CCC(F)CC3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H25FN4O/c1-14-10-18(8-9-29-14)28-22-19-11-15(12-25)2-7-20(19)26-13-21(22)27-23(28)16-3-5-17(24)6-4-16/h2,7,11,13-14,16-18H,3-6,8-10H2,1H3/t14-,16?,17?,18-/m1/s1
InChIKeyYMBWTCQPYCHTSC-AGERRDQYSA-N
MW392.48 g/mol
LogP5.19
Rot. Bonds2

About 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 142423687) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID142423687
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(C3CCC(F)CC3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H25FN4O/c1-14-10-18(8-9-29-14)28-22-19-11-15(12-25)2-7-20(19)26-13-21(22)27-23(28)16-3-5-17(24)6-4-16/h2,7,11,13-14,16-18H,3-6,8-10H2,1H3/t14-,16?,17?,18-/m1/s1
InChIKeyYMBWTCQPYCHTSC-AGERRDQYSA-N
XLogP5.19
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile with MolForge

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Related Compounds

Bag-956
CID 24882589
3-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-propionitrile
CID 10310103
2-(4-(8-(2-(pyridin-3-yl)ethynyl)-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)acetonitrile
CID 11234514
2-[4-[2-Methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11350077
2-[4-[2-Ethyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-1-yl]phenyl]acetonitrile
CID 11774303
3-[8-Fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 71666371
8-Fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566405
8-Fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566407
5,7-Difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566539
5,7-Difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566542
1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 126691326
1-[(2R,4R)-2-methyloxan-4-yl]-2-[(1-methyltriazol-4-yl)methyl]-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 135325094

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile (CID 142423687) is 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1C[C@H](n2c(C3CCC(F)CC3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is YMBWTCQPYCHTSC-AGERRDQYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-14-10-18(8-9-29-14)28-22-19-11-15(12-25)2-7-20(19)26-13-21(22)27-23(28)16-3-5-17(24)6-4-16/h2,7,11,13-14,16-18H,3-6,8-10H2,1H3/t14-,16?,17?,18-/m1/s1.
What are the key properties of 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 392.48 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 142423687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).