3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one

C26H34N4O — CID 22058093

IUPAC3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCC(CN(C)C)C1
InChIInChI=1S/C26H34N4O/c1-4-24(29-16-10-13-21(18-29)17-28(2)3)25-27-23-15-9-8-14-22(23)26(31)30(25)19-20-11-6-5-7-12-20/h5-9,11-12,14-15,21,24H,4,10,13,16-19H2,1-3H3
InChIKeySCDAYSFYECKCBJ-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.17
Rot. Bonds7

About 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one

3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one (PubChem CID 22058093) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
PubChem CID22058093
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCC(CN(C)C)C1
InChIInChI=1S/C26H34N4O/c1-4-24(29-16-10-13-21(18-29)17-28(2)3)25-27-23-15-9-8-14-22(23)26(31)30(25)19-20-11-6-5-7-12-20/h5-9,11-12,14-15,21,24H,4,10,13,16-19H2,1-3H3
InChIKeySCDAYSFYECKCBJ-UHFFFAOYSA-N
XLogP4.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]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-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
3-benzyl-2-[(1S)-1-(benzylamino)propyl]quinazolin-4-one
CID 1051972
4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one (CID 22058093) is 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCC(CN(C)C)C1.
What is the InChIKey of 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one?
The InChIKey is SCDAYSFYECKCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-4-24(29-16-10-13-21(18-29)17-28(2)3)25-27-23-15-9-8-14-22(23)26(31)30(25)19-20-11-6-5-7-12-20/h5-9,11-12,14-15,21,24H,4,10,13,16-19H2,1-3H3.
What are the key properties of 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one?
3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one has a molecular weight of 418.59 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[1-[3-[(dimethylamino)methyl]piperidin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 22058093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).