3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one

C23H22N4O — CID 46906317

IUPAC3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESCN(C)c1ccc(/C=N/N2C(=O)c3ccccc3NC2c2ccccc2)cc1
InChIInChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+
InChIKeyMMFKGZDUQXTJEY-LFVJCYFKSA-N
MW370.46 g/mol
LogP4.35
Rot. Bonds4

About 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one

3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 46906317) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID46906317
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESCN(C)c1ccc(/C=N/N2C(=O)c3ccccc3NC2c2ccccc2)cc1
InChIInChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+
InChIKeyMMFKGZDUQXTJEY-LFVJCYFKSA-N
XLogP4.35
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
3-(4-Methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4052597
3-benzyl-2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3817031
3-hydroxy-2-phenyl-10H-pyridazino[6,1-b]quinazolin-10-one
CID 825043
3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
CID 949175
2-[4-(Diethylamino)phenyl]-2,3-dihydro-4(1H)-quinazolinone
CID 300574
3-(2-Diethylaminoethyl)-2-(4-dimethylaminophenyl)-1,2-dihydroquinazolin-4-one
CID 5131768
2-(4-methylphenyl)-3-{[(E)-(4-methylphenyl)methylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
CID 9607961
3-(benzylideneamino)-2-phenyl-2,3-dihydro-4(1H)-quinazolinone
CID 9567308
3-Benzyl-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2888337
3-(4-Butan-2-ylphenyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117511
5-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-{3-[ethyl(phenyl)amino]propyl}pentanamide
CID 3244549

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one (CID 46906317) is 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is CN(C)c1ccc(/C=N/N2C(=O)c3ccccc3NC2c2ccccc2)cc1.
What is the InChIKey of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is MMFKGZDUQXTJEY-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+.
What are the key properties of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one?
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 370.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 46906317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).