2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

C24H21N5O — CID 3161010

IUPAC2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)nc2c(C)cccc12
InChIInChI=1S/C24H21N5O/c1-14-7-6-10-18-15(2)26-24(28-22(14)18)29-23-25-13-19-20(27-23)11-17(12-21(19)30)16-8-4-3-5-9-16/h3-10,13,17H,11-12H2,1-2H3,(H,25,26,27,28,29)
InChIKeyVBCHYIJFTINFQM-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.69
Rot. Bonds3

About 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one

2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3161010) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3161010
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)nc2c(C)cccc12
InChIInChI=1S/C24H21N5O/c1-14-7-6-10-18-15(2)26-24(28-22(14)18)29-23-25-13-19-20(27-23)11-17(12-21(19)30)16-8-4-3-5-9-16/h3-10,13,17H,11-12H2,1-2H3,(H,25,26,27,28,29)
InChIKeyVBCHYIJFTINFQM-UHFFFAOYSA-N
XLogP4.69
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 3161010) is 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)nc2c(C)cccc12.
What is the InChIKey of 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VBCHYIJFTINFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-14-7-6-10-18-15(2)26-24(28-22(14)18)29-23-25-13-19-20(27-23)11-17(12-21(19)30)16-8-4-3-5-9-16/h3-10,13,17H,11-12H2,1-2H3,(H,25,26,27,28,29).
What are the key properties of 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 395.47 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3161010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).