5-(2-chloroquinazolin-4-yl)oxypentan-1-ol

C13H15ClN2O2 — CID 114216654

IUPAC5-(2-chloroquinazolin-4-yl)oxypentan-1-ol
SMILESOCCCCCOc1nc(Cl)nc2ccccc12
InChIInChI=1S/C13H15ClN2O2/c14-13-15-11-7-3-2-6-10(11)12(16-13)18-9-5-1-4-8-17/h2-3,6-7,17H,1,4-5,8-9H2
InChIKeyYYSXOKBWYYNLCY-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.82
Rot. Bonds6

About 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol

5-(2-chloroquinazolin-4-yl)oxypentan-1-ol (PubChem CID 114216654) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol.

Molecular Properties

Compound Name5-(2-chloroquinazolin-4-yl)oxypentan-1-ol
PubChem CID114216654
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-(2-chloroquinazolin-4-yl)oxypentan-1-ol
SMILESOCCCCCOc1nc(Cl)nc2ccccc12
InChIInChI=1S/C13H15ClN2O2/c14-13-15-11-7-3-2-6-10(11)12(16-13)18-9-5-1-4-8-17/h2-3,6-7,17H,1,4-5,8-9H2
InChIKeyYYSXOKBWYYNLCY-UHFFFAOYSA-N
XLogP2.82
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol?
The IUPAC name of 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol (CID 114216654) is 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol.
What is the SMILES notation for 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol?
The canonical SMILES for 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol is OCCCCCOc1nc(Cl)nc2ccccc12.
What is the InChIKey of 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol?
The InChIKey is YYSXOKBWYYNLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-13-15-11-7-3-2-6-10(11)12(16-13)18-9-5-1-4-8-17/h2-3,6-7,17H,1,4-5,8-9H2.
What are the key properties of 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol?
5-(2-chloroquinazolin-4-yl)oxypentan-1-ol has a molecular weight of 266.73 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroquinazolin-4-yl)oxypentan-1-ol is sourced from PubChem (CID 114216654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).