5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one

C10H9ClN2O3 — CID 141147742

IUPAC5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(O)cc(OCCCl)c12
InChIInChI=1S/C10H9ClN2O3/c11-1-2-16-8-4-6(14)3-7-9(8)10(15)13-5-12-7/h3-5,14H,1-2H2,(H,12,13,15)
InChIKeyYTFMTPLTCWRLOU-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.25
Rot. Bonds3

About 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one

5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one (PubChem CID 141147742) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one
PubChem CID141147742
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(O)cc(OCCCl)c12
InChIInChI=1S/C10H9ClN2O3/c11-1-2-16-8-4-6(14)3-7-9(8)10(15)13-5-12-7/h3-5,14H,1-2H2,(H,12,13,15)
InChIKeyYTFMTPLTCWRLOU-UHFFFAOYSA-N
XLogP1.25
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one?
The IUPAC name of 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one (CID 141147742) is 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one?
The canonical SMILES for 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one is O=c1[nH]cnc2cc(O)cc(OCCCl)c12.
What is the InChIKey of 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one?
The InChIKey is YTFMTPLTCWRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-1-2-16-8-4-6(14)3-7-9(8)10(15)13-5-12-7/h3-5,14H,1-2H2,(H,12,13,15).
What are the key properties of 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one?
5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one has a molecular weight of 240.65 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethoxy)-7-hydroxy-3H-quinazolin-4-one is sourced from PubChem (CID 141147742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).