4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile

C20H14N6O — CID 142747615

IUPAC4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
SMILESN#Cc1ccc(O)c(-c2nc(NCc3cnccn3)c3ccccc3n2)c1
InChIInChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
InChIKeyQDODJLGZFKWWCO-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.28
Rot. Bonds4

About 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile

4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile (PubChem CID 142747615) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
PubChem CID142747615
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
SMILESN#Cc1ccc(O)c(-c2nc(NCc3cnccn3)c3ccccc3n2)c1
InChIInChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
InChIKeyQDODJLGZFKWWCO-UHFFFAOYSA-N
XLogP3.28
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-N-methyl-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
CID 142747580
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 4880961
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 45261670
2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
CID 135898999
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
4-[[[4-[(2-phenylquinazolin-4-yl)amino]-3-pyridinyl]amino]methyl]benzonitrile
CID 10159642
2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
CID 142747576
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
3-[4-(methylamino)quinazolin-2-yl]benzonitrile
CID 3233618
2-(hydroxymethyl)-4-(pyrazin-2-ylmethylamino)phenol
CID 83962559
N-(pyridin-2-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 2576648
6-[2-[[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59106848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile?
The IUPAC name of 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile (CID 142747615) is 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile.
What is the SMILES notation for 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile?
The canonical SMILES for 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile is N#Cc1ccc(O)c(-c2nc(NCc3cnccn3)c3ccccc3n2)c1.
What is the InChIKey of 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile?
The InChIKey is QDODJLGZFKWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26).
What are the key properties of 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile?
4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile has a molecular weight of 354.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile is sourced from PubChem (CID 142747615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).