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

C16H15N3O — CID 7719422

IUPAC3-[4-(dimethylamino)phenyl]quinazolin-4-one
SMILESCN(C)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H15N3O/c1-18(2)12-7-9-13(10-8-12)19-11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3
InChIKeyKTAOKDBDWHFJSQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.45
Rot. Bonds2

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

3-[4-(dimethylamino)phenyl]quinazolin-4-one (PubChem CID 7719422) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]quinazolin-4-one
PubChem CID7719422
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[4-(dimethylamino)phenyl]quinazolin-4-one
SMILESCN(C)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H15N3O/c1-18(2)12-7-9-13(10-8-12)19-11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3
InChIKeyKTAOKDBDWHFJSQ-UHFFFAOYSA-N
XLogP2.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
N-benzyl-4-(4-oxoquinazolin-3-yl)-N-propylbenzamide
CID 43020410
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
CID 118168715
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 7718534
CID 144763920
CID 144763920
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(4-oxoquinazolin-3-yl)benzamide
CID 24553245
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
3-(2-methyltetrazol-5-yl)quinazolin-4-one
CID 14022304

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]quinazolin-4-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]quinazolin-4-one (CID 7719422) is 3-[4-(dimethylamino)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]quinazolin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]quinazolin-4-one is CN(C)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]quinazolin-4-one?
The InChIKey is KTAOKDBDWHFJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-18(2)12-7-9-13(10-8-12)19-11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]quinazolin-4-one?
3-[4-(dimethylamino)phenyl]quinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]quinazolin-4-one is sourced from PubChem (CID 7719422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).