3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one

C17H16N4O — CID 29456276

IUPAC3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
SMILESCN(C)c1ccc(/C=N\n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H16N4O/c1-20(2)14-9-7-13(8-10-14)11-19-21-12-18-16-6-4-3-5-15(16)17(21)22/h3-12H,1-2H3/b19-11-
InChIKeyTVBTXIOYQVJHOK-ODLFYWEKSA-N
MW292.34 g/mol
LogP2.34
Rot. Bonds3

About 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one

3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one (PubChem CID 29456276) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
PubChem CID29456276
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
SMILESCN(C)c1ccc(/C=N\n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H16N4O/c1-20(2)14-9-7-13(8-10-14)11-19-21-12-18-16-6-4-3-5-15(16)17(21)22/h3-12H,1-2H3/b19-11-
InChIKeyTVBTXIOYQVJHOK-ODLFYWEKSA-N
XLogP2.34
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331
3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
CID 18229360
3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 9214185
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
4-[(E)-carbazol-9-yliminomethyl]-N,N-dimethylaniline
CID 6872335
methyl N,N-dimethyl-N'-(4-oxoquinazolin-3-yl)carbamimidothioate
CID 11265499
5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 5453443
3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 2463847
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
The IUPAC name of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one (CID 29456276) is 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one is CN(C)c1ccc(/C=N\n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
The InChIKey is TVBTXIOYQVJHOK-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H16N4O/c1-20(2)14-9-7-13(8-10-14)11-19-21-12-18-16-6-4-3-5-15(16)17(21)22/h3-12H,1-2H3/b19-11-.
What are the key properties of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 29456276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).