3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one

C25H25N3O — CID 1051972

IUPAC3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
SMILESCC[C@H](NCc1ccccc1)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H25N3O/c1-2-22(26-17-19-11-5-3-6-12-19)24-27-23-16-10-9-15-21(23)25(29)28(24)18-20-13-7-4-8-14-20/h3-16,22,26H,2,17-18H2,1H3/t22-/m0/s1
InChIKeyDFSJKIQFLYLLRX-QFIPXVFZSA-N
MW383.50 g/mol
LogP4.69
Rot. Bonds7

About 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one

3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one (PubChem CID 1051972) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
PubChem CID1051972
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
SMILESCC[C@H](NCc1ccccc1)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H25N3O/c1-2-22(26-17-19-11-5-3-6-12-19)24-27-23-16-10-9-15-21(23)25(29)28(24)18-20-13-7-4-8-14-20/h3-16,22,26H,2,17-18H2,1H3/t22-/m0/s1
InChIKeyDFSJKIQFLYLLRX-QFIPXVFZSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-2-[(1S)-1-(benzylamino)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

2-[(1R)-1-(benzylamino)propyl]-3-methylquinazolin-4-one
CID 769523
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-benzyl-2-[(1S)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769323
3-ethyl-2-[(1S)-1-(propylamino)propyl]quinazolin-4-one
CID 7301405
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
2-[(1S)-1-(benzylamino)ethyl]-3-propylquinazolin-4-one
CID 769672
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
3-benzyl-2-[1-(benzylamino)propyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 22180079
2-[(1S)-1-(ethylamino)propyl]-3-methylquinazolin-4-one
CID 769516
3-(2-methoxyethyl)-2-[(1R)-1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 7365393
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
2-[(1R)-1-(hexylamino)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7226539

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one (CID 1051972) is 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one is CC[C@H](NCc1ccccc1)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one?
The InChIKey is DFSJKIQFLYLLRX-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25N3O/c1-2-22(26-17-19-11-5-3-6-12-19)24-27-23-16-10-9-15-21(23)25(29)28(24)18-20-13-7-4-8-14-20/h3-16,22,26H,2,17-18H2,1H3/t22-/m0/s1.
What are the key properties of 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one?
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one has a molecular weight of 383.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one is sourced from PubChem (CID 1051972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).