3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one

C15H12ClN3O2 — CID 671528

IUPAC3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one
SMILESNn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C15H12ClN3O2/c16-10-5-7-11(8-6-10)21-9-14-18-13-4-2-1-3-12(13)15(20)19(14)17/h1-8H,9,17H2
InChIKeyFYGMTNXEFLQILY-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one

3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one (PubChem CID 671528) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one
PubChem CID671528
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one
SMILESNn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C15H12ClN3O2/c16-10-5-7-11(8-6-10)21-9-14-18-13-4-2-1-3-12(13)15(20)19(14)17/h1-8H,9,17H2
InChIKeyFYGMTNXEFLQILY-UHFFFAOYSA-N
XLogP2.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one (CID 671528) is 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one is Nn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one?
The InChIKey is FYGMTNXEFLQILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-5-7-11(8-6-10)21-9-14-18-13-4-2-1-3-12(13)15(20)19(14)17/h1-8H,9,17H2.
What are the key properties of 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one?
3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one has a molecular weight of 301.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-chlorophenoxy)methyl]quinazolin-4-one is sourced from PubChem (CID 671528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).