3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one

C15H21N3O — CID 5203497

IUPAC3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
SMILESCCCNC(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C15H21N3O/c1-4-10-16-11(3)14-17-13-9-7-6-8-12(13)15(19)18(14)5-2/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyULFZOWVKVNUVAU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.48
Rot. Bonds5

About 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one

3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one (PubChem CID 5203497) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
PubChem CID5203497
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
SMILESCCCNC(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C15H21N3O/c1-4-10-16-11(3)14-17-13-9-7-6-8-12(13)15(19)18(14)5-2/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyULFZOWVKVNUVAU-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
2-[(1S)-1-(2-methylpropylamino)ethyl]-3-propylquinazolin-4-one
CID 769666
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one (CID 5203497) is 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one is CCCNC(C)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one?
The InChIKey is ULFZOWVKVNUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-10-16-11(3)14-17-13-9-7-6-8-12(13)15(19)18(14)5-2/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one?
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 5203497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).