2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one

C18H21N3O — CID 3121411

IUPAC2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN(C)c1ccc(C2N(C)C(=O)c3ccccc3N2C)cc1
InChIInChI=1S/C18H21N3O/c1-19(2)14-11-9-13(10-12-14)17-20(3)16-8-6-5-7-15(16)18(22)21(17)4/h5-12,17H,1-4H3
InChIKeyGBOHJUQDELAZTL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.97
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one

2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one (PubChem CID 3121411) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one
PubChem CID3121411
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one
SMILESCN(C)c1ccc(C2N(C)C(=O)c3ccccc3N2C)cc1
InChIInChI=1S/C18H21N3O/c1-19(2)14-11-9-13(10-12-14)17-20(3)16-8-6-5-7-15(16)18(22)21(17)4/h5-12,17H,1-4H3
InChIKeyGBOHJUQDELAZTL-UHFFFAOYSA-N
XLogP2.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Bentazon methyl
CID 611316
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
Nitraquazone
CID 68765
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one (CID 3121411) is 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one is CN(C)c1ccc(C2N(C)C(=O)c3ccccc3N2C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one?
The InChIKey is GBOHJUQDELAZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19(2)14-11-9-13(10-12-14)17-20(3)16-8-6-5-7-15(16)18(22)21(17)4/h5-12,17H,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one?
2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one has a molecular weight of 295.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1,3-dimethyl-2H-quinazolin-4-one is sourced from PubChem (CID 3121411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).