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

C16H23N3O — CID 7301405

IUPAC3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
SMILESCCCN[C@@H](CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C16H23N3O/c1-4-11-17-13(5-2)15-18-14-10-8-7-9-12(14)16(20)19(15)6-3/h7-10,13,17H,4-6,11H2,1-3H3/t13-/m0/s1
InChIKeyKXLPSAVSYFDCLR-ZDUSSCGKSA-N
MW273.38 g/mol
LogP2.87
Rot. Bonds6

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

3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one (PubChem CID 7301405) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
PubChem CID7301405
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
SMILESCCCN[C@@H](CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C16H23N3O/c1-4-11-17-13(5-2)15-18-14-10-8-7-9-12(14)16(20)19(15)6-3/h7-10,13,17H,4-6,11H2,1-3H3/t13-/m0/s1
InChIKeyKXLPSAVSYFDCLR-ZDUSSCGKSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-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

3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539
3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
7-chloro-3-ethyl-2-[(1R)-1-(hexylamino)propyl]quinazolin-4-one
CID 7415245
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
[(1R)-1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-propan-2-ylazanium
CID 6941034
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
CID 769523

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one (CID 7301405) is 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one is CCCN[C@@H](CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one?
The InChIKey is KXLPSAVSYFDCLR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-11-17-13(5-2)15-18-14-10-8-7-9-12(14)16(20)19(15)6-3/h7-10,13,17H,4-6,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one?
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one has a molecular weight of 273.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 7301405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).