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

C22H21N3O — CID 16584123

IUPAC2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C1CC(=O)c2cnc(NCc3ccccc3)nc2C1
InChIInChI=1S/C22H21N3O/c1-15-7-5-6-10-18(15)17-11-20-19(21(26)12-17)14-24-22(25-20)23-13-16-8-3-2-4-9-16/h2-10,14,17H,11-13H2,1H3,(H,23,24,25)
InChIKeyJGHHKTUMNNCUTD-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.31
Rot. Bonds4

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

2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584123) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584123
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1C1CC(=O)c2cnc(NCc3ccccc3)nc2C1
InChIInChI=1S/C22H21N3O/c1-15-7-5-6-10-18(15)17-11-20-19(21(26)12-17)14-24-22(25-20)23-13-16-8-3-2-4-9-16/h2-10,14,17H,11-13H2,1H3,(H,23,24,25)
InChIKeyJGHHKTUMNNCUTD-UHFFFAOYSA-N
XLogP4.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 16584123) is 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccccc1C1CC(=O)c2cnc(NCc3ccccc3)nc2C1.
What is the InChIKey of 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JGHHKTUMNNCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-7-5-6-10-18(15)17-11-20-19(21(26)12-17)14-24-22(25-20)23-13-16-8-3-2-4-9-16/h2-10,14,17H,11-13H2,1H3,(H,23,24,25).
What are the key properties of 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 343.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).