2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide

C26H25N7O2 — CID 176873246

IUPAC2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide
SMILESC[C@@H]1C[C@H](n2c(CC(=O)NC3(c4ncccn4)CC3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C26H25N7O2/c1-16-11-18(5-10-35-16)33-22(13-23(34)32-26(6-7-26)25-28-8-2-9-29-25)31-21-15-30-20-4-3-17(14-27)12-19(20)24(21)33/h2-4,8-9,12,15-16,18H,5-7,10-11,13H2,1H3,(H,32,34)/t16-,18-/m1/s1
InChIKeyWYQKXABTDLXLOM-SJLPKXTDSA-N
MW467.53 g/mol
LogP3.33
Rot. Bonds5

About 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide

2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide (PubChem CID 176873246) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide
PubChem CID176873246
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide
SMILESC[C@@H]1C[C@H](n2c(CC(=O)NC3(c4ncccn4)CC3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C26H25N7O2/c1-16-11-18(5-10-35-16)33-22(13-23(34)32-26(6-7-26)25-28-8-2-9-29-25)31-21-15-30-20-4-3-17(14-27)12-19(20)24(21)33/h2-4,8-9,12,15-16,18H,5-7,10-11,13H2,1H3,(H,32,34)/t16-,18-/m1/s1
InChIKeyWYQKXABTDLXLOM-SJLPKXTDSA-N
XLogP3.33
TPSA118.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide with MolForge

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Related Compounds

2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 170389436
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-pyrimidin-5-ylacetamide
CID 176873088
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(4-methyl-3-pyridinyl)acetamide
CID 176873118
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide
CID 176873108
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-[5-(trifluoromethyl)-1,2-oxazol-3-yl]acetamide
CID 176873015
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-[1-(oxetan-3-yl)pyrazol-4-yl]acetamide
CID 176873311
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
CID 176873052
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
CID 176873358
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-[3-[(1-methylpyrazol-3-yl)methoxy]cyclobutyl]acetamide
CID 176873196
2-[8-cyano-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 170583039

Frequently Asked Questions

What is the IUPAC name of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide?
The IUPAC name of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide (CID 176873246) is 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide.
What is the SMILES notation for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide?
The canonical SMILES for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide is C[C@@H]1C[C@H](n2c(CC(=O)NC3(c4ncccn4)CC3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide?
The InChIKey is WYQKXABTDLXLOM-SJLPKXTDSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16-11-18(5-10-35-16)33-22(13-23(34)32-26(6-7-26)25-28-8-2-9-29-25)31-21-15-30-20-4-3-17(14-27)12-19(20)24(21)33/h2-4,8-9,12,15-16,18H,5-7,10-11,13H2,1H3,(H,32,34)/t16-,18-/m1/s1.
What are the key properties of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide?
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(1-pyrimidin-2-ylcyclopropyl)acetamide is sourced from PubChem (CID 176873246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).