3-hydroxy-2-quinazolin-2-ylpropanenitrile

C11H9N3O — CID 114789796

IUPAC3-hydroxy-2-quinazolin-2-ylpropanenitrile
SMILESN#CC(CO)c1ncc2ccccc2n1
InChIInChI=1S/C11H9N3O/c12-5-9(7-15)11-13-6-8-3-1-2-4-10(8)14-11/h1-4,6,9,15H,7H2
InChIKeyFQGUUVSODRQCMI-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.23
Rot. Bonds2

About 3-hydroxy-2-quinazolin-2-ylpropanenitrile

3-hydroxy-2-quinazolin-2-ylpropanenitrile (PubChem CID 114789796) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-hydroxy-2-quinazolin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-quinazolin-2-ylpropanenitrile
PubChem CID114789796
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-hydroxy-2-quinazolin-2-ylpropanenitrile
SMILESN#CC(CO)c1ncc2ccccc2n1
InChIInChI=1S/C11H9N3O/c12-5-9(7-15)11-13-6-8-3-1-2-4-10(8)14-11/h1-4,6,9,15H,7H2
InChIKeyFQGUUVSODRQCMI-UHFFFAOYSA-N
XLogP1.23
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-benzotriazin-3-yl)-3-hydroxypropanenitrile
CID 103205059
3-hydroxy-2-pyrimidin-2-ylpropanenitrile
CID 63215083
2-but-3-yn-2-ylquinazoline
CID 173036469
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
3-(quinazolin-2-ylamino)propane-1,2-diol
CID 114789175
2-heptan-3-ylquinazoline
CID 70306859
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanenitrile
CID 114788703
oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride
CID 158007828
3-quinazolin-2-ylsulfanylbutan-1-ol
CID 114789384
3-(1-hydroxybutan-2-ylamino)benzo[b][1,6]naphthyridine-4-carbonitrile
CID 5305243
2-methylquinazoline
CID 588987
2-quinolin-2-yloxyethanol
CID 19898678

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-quinazolin-2-ylpropanenitrile?
The IUPAC name of 3-hydroxy-2-quinazolin-2-ylpropanenitrile (CID 114789796) is 3-hydroxy-2-quinazolin-2-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-2-quinazolin-2-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-2-quinazolin-2-ylpropanenitrile is N#CC(CO)c1ncc2ccccc2n1.
What is the InChIKey of 3-hydroxy-2-quinazolin-2-ylpropanenitrile?
The InChIKey is FQGUUVSODRQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-5-9(7-15)11-13-6-8-3-1-2-4-10(8)14-11/h1-4,6,9,15H,7H2.
What are the key properties of 3-hydroxy-2-quinazolin-2-ylpropanenitrile?
3-hydroxy-2-quinazolin-2-ylpropanenitrile has a molecular weight of 199.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-quinazolin-2-ylpropanenitrile is sourced from PubChem (CID 114789796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).