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

C18H21N3O — CID 54778083

IUPAC2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-4-21-17(13-9-11-14(12-10-13)20(2)3)19-16-8-6-5-7-15(16)18(21)22/h5-12,17,19H,4H2,1-3H3
InChIKeyOIUGUMIGSUXRSU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.34
Rot. Bonds3

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

2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one (PubChem CID 54778083) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
PubChem CID54778083
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-4-21-17(13-9-11-14(12-10-13)20(2)3)19-16-8-6-5-7-15(16)18(21)22/h5-12,17,19H,4H2,1-3H3
InChIKeyOIUGUMIGSUXRSU-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
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-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
2-(3,4-dihydroxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 47030381
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one
CID 7195061
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
CID 18887543
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887544
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
(2S)-3-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
CID 9007625

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one (CID 54778083) is 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one is CCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one?
The InChIKey is OIUGUMIGSUXRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-21-17(13-9-11-14(12-10-13)20(2)3)19-16-8-6-5-7-15(16)18(21)22/h5-12,17,19H,4H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one?
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one has a molecular weight of 295.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).