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

C17H20N4O — CID 23623970

IUPAC1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one
SMILESCN(C)CCN1c2ccccc2C(=O)NC1c1cccnc1
InChIInChI=1S/C17H20N4O/c1-20(2)10-11-21-15-8-4-3-7-14(15)17(22)19-16(21)13-6-5-9-18-12-13/h3-9,12,16H,10-11H2,1-2H3,(H,19,22)
InChIKeyZUFHXUGRJHSUNZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.89
Rot. Bonds4

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

1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one (PubChem CID 23623970) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one
PubChem CID23623970
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one
SMILESCN(C)CCN1c2ccccc2C(=O)NC1c1cccnc1
InChIInChI=1S/C17H20N4O/c1-20(2)10-11-21-15-8-4-3-7-14(15)17(22)19-16(21)13-6-5-9-18-12-13/h3-9,12,16H,10-11H2,1-2H3,(H,19,22)
InChIKeyZUFHXUGRJHSUNZ-UHFFFAOYSA-N
XLogP1.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 95167759
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
(1R)-2-[2-(dimethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 941803
3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15171473
4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid
CID 82021564
(2S)-2-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 97185542
(4E,5S)-1-[3-(dimethylamino)propyl]-4-[hydroxy(1H-indol-3-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 98358086
(3R)-1-bromo-3-(pyridin-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 139823544
(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 7327170
(4Z)-1-[2-(dimethylamino)ethyl]-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108631275
5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydron;chloride
CID 74765296
(4E,5S)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 7081790

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one (CID 23623970) is 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one is CN(C)CCN1c2ccccc2C(=O)NC1c1cccnc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one?
The InChIKey is ZUFHXUGRJHSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20(2)10-11-21-15-8-4-3-7-14(15)17(22)19-16(21)13-6-5-9-18-12-13/h3-9,12,16H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one?
1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one has a molecular weight of 296.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 23623970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).