2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C16H17N3O — CID 16584115

IUPAC2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(NCc3ccccc3)nc2C1
InChIInChI=1S/C16H17N3O/c1-11-7-14-13(15(20)8-11)10-18-16(19-14)17-9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,17,18,19)
InChIKeyICCAFFRYECKWCZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds3

About 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one

2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584115) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584115
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(NCc3ccccc3)nc2C1
InChIInChI=1S/C16H17N3O/c1-11-7-14-13(15(20)8-11)10-18-16(19-14)17-9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,17,18,19)
InChIKeyICCAFFRYECKWCZ-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 16584115) is 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(NCc3ccccc3)nc2C1.
What is the InChIKey of 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ICCAFFRYECKWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-7-14-13(15(20)8-11)10-18-16(19-14)17-9-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,17,18,19).
What are the key properties of 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 267.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).