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

C18H19N3O — CID 168550887

IUPAC2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
SMILESCC(c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)N(C)C
InChIInChI=1S/C18H19N3O/c1-12(21(2)3)13-8-10-14(11-9-13)17-19-16-7-5-4-6-15(16)18(22)20-17/h4-12H,1-3H3,(H,19,20,22)
InChIKeyCSUBKIDFHGEKBM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.21
Rot. Bonds3

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

2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one (PubChem CID 168550887) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
PubChem CID168550887
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
SMILESCC(c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)N(C)C
InChIInChI=1S/C18H19N3O/c1-12(21(2)3)13-8-10-14(11-9-13)17-19-16-7-5-4-6-15(16)18(22)20-17/h4-12H,1-3H3,(H,19,20,22)
InChIKeyCSUBKIDFHGEKBM-UHFFFAOYSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 136688103
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
4-[N-methyl-4-(4-oxo-3H-quinazolin-2-yl)anilino]benzonitrile
CID 168552766
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one (CID 168550887) is 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one is CC(c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)N(C)C.
What is the InChIKey of 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one?
The InChIKey is CSUBKIDFHGEKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(21(2)3)13-8-10-14(11-9-13)17-19-16-7-5-4-6-15(16)18(22)20-17/h4-12H,1-3H3,(H,19,20,22).
What are the key properties of 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one?
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168550887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).