4-(benzylamino)-1H-quinazolin-2-one

C15H13N3O — CID 25153233

IUPAC4-(benzylamino)-1H-quinazolin-2-one
SMILESO=c1nc(NCc2ccccc2)c2ccccc2[nH]1
InChIInChI=1S/C15H13N3O/c19-15-17-13-9-5-4-8-12(13)14(18-15)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18,19)
InChIKeyCPOWZEVSMULVMR-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds3

About 4-(benzylamino)-1H-quinazolin-2-one

4-(benzylamino)-1H-quinazolin-2-one (PubChem CID 25153233) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(benzylamino)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-1H-quinazolin-2-one
PubChem CID25153233
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(benzylamino)-1H-quinazolin-2-one
SMILESO=c1nc(NCc2ccccc2)c2ccccc2[nH]1
InChIInChI=1S/C15H13N3O/c19-15-17-13-9-5-4-8-12(13)14(18-15)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18,19)
InChIKeyCPOWZEVSMULVMR-UHFFFAOYSA-N
XLogP2.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1H-quinazolin-2-one?
The IUPAC name of 4-(benzylamino)-1H-quinazolin-2-one (CID 25153233) is 4-(benzylamino)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(benzylamino)-1H-quinazolin-2-one?
The canonical SMILES for 4-(benzylamino)-1H-quinazolin-2-one is O=c1nc(NCc2ccccc2)c2ccccc2[nH]1.
What is the InChIKey of 4-(benzylamino)-1H-quinazolin-2-one?
The InChIKey is CPOWZEVSMULVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-17-13-9-5-4-8-12(13)14(18-15)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18,19).
What are the key properties of 4-(benzylamino)-1H-quinazolin-2-one?
4-(benzylamino)-1H-quinazolin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1H-quinazolin-2-one is sourced from PubChem (CID 25153233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).