2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one

C15H10Cl2N2O2 — CID 135690392

IUPAC2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C15H10Cl2N2O2/c16-9-5-6-13(11(17)7-9)21-8-14-18-12-4-2-1-3-10(12)15(20)19-14/h1-7H,8H2,(H,18,19,20)
InChIKeyFZZWRDUJOVSXFN-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.81
Rot. Bonds3

About 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one

2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one (PubChem CID 135690392) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one
PubChem CID135690392
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(COc2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C15H10Cl2N2O2/c16-9-5-6-13(11(17)7-9)21-8-14-18-12-4-2-1-3-10(12)15(20)19-14/h1-7H,8H2,(H,18,19,20)
InChIKeyFZZWRDUJOVSXFN-UHFFFAOYSA-N
XLogP3.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one (CID 135690392) is 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one is O=c1[nH]c(COc2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one?
The InChIKey is FZZWRDUJOVSXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-9-5-6-13(11(17)7-9)21-8-14-18-12-4-2-1-3-10(12)15(20)19-14/h1-7H,8H2,(H,18,19,20).
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one?
2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one has a molecular weight of 321.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135690392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).