3-amino-2-benzyl-7-chloroquinazolin-4-one

C15H12ClN3O — CID 6488202

IUPAC3-amino-2-benzyl-7-chloroquinazolin-4-one
SMILESNn1c(Cc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H12ClN3O/c16-11-6-7-12-13(9-11)18-14(19(17)15(12)20)8-10-4-2-1-3-5-10/h1-7,9H,8,17H2
InChIKeyRVHAXAJNYWYLEC-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.35
Rot. Bonds2

About 3-amino-2-benzyl-7-chloroquinazolin-4-one

3-amino-2-benzyl-7-chloroquinazolin-4-one (PubChem CID 6488202) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-amino-2-benzyl-7-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-benzyl-7-chloroquinazolin-4-one
PubChem CID6488202
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-amino-2-benzyl-7-chloroquinazolin-4-one
SMILESNn1c(Cc2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H12ClN3O/c16-11-6-7-12-13(9-11)18-14(19(17)15(12)20)8-10-4-2-1-3-5-10/h1-7,9H,8,17H2
InChIKeyRVHAXAJNYWYLEC-UHFFFAOYSA-N
XLogP2.35
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-7-chloroquinazolin-4-one?
The IUPAC name of 3-amino-2-benzyl-7-chloroquinazolin-4-one (CID 6488202) is 3-amino-2-benzyl-7-chloroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-benzyl-7-chloroquinazolin-4-one?
The canonical SMILES for 3-amino-2-benzyl-7-chloroquinazolin-4-one is Nn1c(Cc2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 3-amino-2-benzyl-7-chloroquinazolin-4-one?
The InChIKey is RVHAXAJNYWYLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-6-7-12-13(9-11)18-14(19(17)15(12)20)8-10-4-2-1-3-5-10/h1-7,9H,8,17H2.
What are the key properties of 3-amino-2-benzyl-7-chloroquinazolin-4-one?
3-amino-2-benzyl-7-chloroquinazolin-4-one has a molecular weight of 285.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-7-chloroquinazolin-4-one is sourced from PubChem (CID 6488202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).