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

C23H25N5O2 — CID 170583011

IUPAC1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(CC(=O)N3CCCC3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H25N5O2/c1-15-10-17(6-9-30-15)28-21(12-22(29)27-7-2-3-8-27)26-20-14-25-19-5-4-16(13-24)11-18(19)23(20)28/h4-5,11,14-15,17H,2-3,6-10,12H2,1H3/t15-,17-/m1/s1
InChIKeySPHUNUNZEVHPLU-NVXWUHKLSA-N
MW403.49 g/mol
LogP3.36
Rot. Bonds3

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

1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 170583011) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID170583011
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(CC(=O)N3CCCC3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H25N5O2/c1-15-10-17(6-9-30-15)28-21(12-22(29)27-7-2-3-8-27)26-20-14-25-19-5-4-16(13-24)11-18(19)23(20)28/h4-5,11,14-15,17H,2-3,6-10,12H2,1H3/t15-,17-/m1/s1
InChIKeySPHUNUNZEVHPLU-NVXWUHKLSA-N
XLogP3.36
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 170583039
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-(4-methyl-3-pyridinyl)acetamide
CID 176873118
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
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
1-[[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
CID 170337555
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-(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-[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-(2,4-dimethoxypyrimidin-5-yl)acetamide
CID 176873358

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile (CID 170583011) is 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1C[C@H](n2c(CC(=O)N3CCCC3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is SPHUNUNZEVHPLU-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-10-17(6-9-30-15)28-21(12-22(29)27-7-2-3-8-27)26-20-14-25-19-5-4-16(13-24)11-18(19)23(20)28/h4-5,11,14-15,17H,2-3,6-10,12H2,1H3/t15-,17-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 403.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 170583011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).