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

C25H25N7O4 — CID 176873358

IUPAC2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cc2nc3cnc4ccc(C#N)cc4c3n2[C@@H]2CCO[C@H](C)C2)c(OC)n1
InChIInChI=1S/C25H25N7O4/c1-14-8-16(6-7-36-14)32-21(10-22(33)30-20-13-28-25(35-3)31-24(20)34-2)29-19-12-27-18-5-4-15(11-26)9-17(18)23(19)32/h4-5,9,12-14,16H,6-8,10H2,1-3H3,(H,30,33)/t14-,16-/m1/s1
InChIKeyPSISXBVPFMXFHO-GDBMZVCRSA-N
MW487.52 g/mol
LogP3.18
Rot. Bonds6

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

2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide (PubChem CID 176873358) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
PubChem CID176873358
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)Cc2nc3cnc4ccc(C#N)cc4c3n2[C@@H]2CCO[C@H](C)C2)c(OC)n1
InChIInChI=1S/C25H25N7O4/c1-14-8-16(6-7-36-14)32-21(10-22(33)30-20-13-28-25(35-3)31-24(20)34-2)29-19-12-27-18-5-4-15(11-26)9-17(18)23(19)32/h4-5,9,12-14,16H,6-8,10H2,1-3H3,(H,30,33)/t14-,16-/m1/s1
InChIKeyPSISXBVPFMXFHO-GDBMZVCRSA-N
XLogP3.18
TPSA137.07 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)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-(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-(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-pyrimidin-5-ylacetamide
CID 176873088
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
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-(pyridin-2-ylmethyl)acetamide
CID 170389436
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-(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-[(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
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119

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-(2,4-dimethoxypyrimidin-5-yl)acetamide?
The IUPAC name of 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) is 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)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-(2,4-dimethoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide is COc1ncc(NC(=O)Cc2nc3cnc4ccc(C#N)cc4c3n2[C@@H]2CCO[C@H](C)C2)c(OC)n1.
What is the InChIKey of 2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide?
The InChIKey is PSISXBVPFMXFHO-GDBMZVCRSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-14-8-16(6-7-36-14)32-21(10-22(33)30-20-13-28-25(35-3)31-24(20)34-2)29-19-12-27-18-5-4-15(11-26)9-17(18)23(19)32/h4-5,9,12-14,16H,6-8,10H2,1-3H3,(H,30,33)/t14-,16-/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-(2,4-dimethoxypyrimidin-5-yl)acetamide?
2-[8-cyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]-N-(2,4-dimethoxypyrimidin-5-yl)acetamide has a molecular weight of 487.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 10 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-(2,4-dimethoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 176873358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).