3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile

C20H16N6O — CID 23160348

IUPAC3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
InChIInChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25)
InChIKeyLXXVOFSEARSYCJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.08
Rot. Bonds4

About 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile

3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile (PubChem CID 23160348) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile
PubChem CID23160348
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
InChIInChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25)
InChIKeyLXXVOFSEARSYCJ-UHFFFAOYSA-N
XLogP4.08
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile?
The IUPAC name of 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile (CID 23160348) is 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile.
What is the SMILES notation for 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile?
The canonical SMILES for 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile is Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1.
What is the InChIKey of 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile?
The InChIKey is LXXVOFSEARSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25).
What are the key properties of 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile?
3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile has a molecular weight of 356.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile is sourced from PubChem (CID 23160348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).