4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile

C17H12ClN3O2 — CID 2813577

IUPAC4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)COc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H12ClN3O2/c18-13-5-6-14-15(7-13)20-10-21-17(14)23-9-16(22)12-3-1-11(8-19)2-4-12/h1-7,10,16,22H,9H2
InChIKeyURDPIQKTCYNWMW-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.27
Rot. Bonds4

About 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile

4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile (PubChem CID 2813577) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile
PubChem CID2813577
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile
SMILESN#Cc1ccc(C(O)COc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H12ClN3O2/c18-13-5-6-14-15(7-13)20-10-21-17(14)23-9-16(22)12-3-1-11(8-19)2-4-12/h1-7,10,16,22H,9H2
InChIKeyURDPIQKTCYNWMW-UHFFFAOYSA-N
XLogP3.27
TPSA79.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile (CID 2813577) is 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile is N#Cc1ccc(C(O)COc2ncnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile?
The InChIKey is URDPIQKTCYNWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-5-6-14-15(7-13)20-10-21-17(14)23-9-16(22)12-3-1-11(8-19)2-4-12/h1-7,10,16,22H,9H2.
What are the key properties of 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile?
4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile has a molecular weight of 325.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-chloroquinazolin-4-yl)oxy-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 2813577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).