2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H17N3O — CID 135417545

IUPAC2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C15H17N3O/c19-14-12-8-4-5-9-13(12)17-15(18-14)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,16,17,18,19)
InChIKeySOWUPLLVQVMFKJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.26
Rot. Bonds3

About 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135417545) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135417545
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C15H17N3O/c19-14-12-8-4-5-9-13(12)17-15(18-14)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,16,17,18,19)
InChIKeySOWUPLLVQVMFKJ-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135417545) is 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(NCc2ccccc2)nc2c1CCCC2.
What is the InChIKey of 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SOWUPLLVQVMFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-14-12-8-4-5-9-13(12)17-15(18-14)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,16,17,18,19).
What are the key properties of 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135417545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).