2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile

C21H19N7O — CID 130296784

IUPAC2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile
SMILESCC(O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3ccccc3n2)n1
InChIInChI=1S/C21H19N7O/c1-14(29)12-25-21-23-11-9-19(27-21)28-16(8-10-22)13-24-20(28)18-7-6-15-4-2-3-5-17(15)26-18/h2-7,9,11,13-14,29H,8,12H2,1H3,(H,23,25,27)
InChIKeyMTLGSBMSYAUVFE-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.74
Rot. Bonds6

About 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile

2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile (PubChem CID 130296784) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile
PubChem CID130296784
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile
SMILESCC(O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3ccccc3n2)n1
InChIInChI=1S/C21H19N7O/c1-14(29)12-25-21-23-11-9-19(27-21)28-16(8-10-22)13-24-20(28)18-7-6-15-4-2-3-5-17(15)26-18/h2-7,9,11,13-14,29H,8,12H2,1H3,(H,23,25,27)
InChIKeyMTLGSBMSYAUVFE-UHFFFAOYSA-N
XLogP2.74
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile?
The IUPAC name of 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile (CID 130296784) is 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile?
The canonical SMILES for 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile is CC(O)CNc1nccc(-n2c(CC#N)cnc2-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile?
The InChIKey is MTLGSBMSYAUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-14(29)12-25-21-23-11-9-19(27-21)28-16(8-10-22)13-24-20(28)18-7-6-15-4-2-3-5-17(15)26-18/h2-7,9,11,13-14,29H,8,12H2,1H3,(H,23,25,27).
What are the key properties of 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile?
2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile has a molecular weight of 385.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-hydroxypropylamino)pyrimidin-4-yl]-2-quinolin-2-ylimidazol-4-yl]acetonitrile is sourced from PubChem (CID 130296784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).