3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

C24H28N4O3 — CID 24552041

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-26(17-18-9-11-19(12-10-18)27-14-5-2-6-15-27)22(29)13-16-28-21-8-4-3-7-20(21)23(30)25-24(28)31/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,30,31)
InChIKeyOAVGJQAKFYFGOL-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.73
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 24552041) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID24552041
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C24H28N4O3/c1-26(17-18-9-11-19(12-10-18)27-14-5-2-6-15-27)22(29)13-16-28-21-8-4-3-7-20(21)23(30)25-24(28)31/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,30,31)
InChIKeyOAVGJQAKFYFGOL-UHFFFAOYSA-N
XLogP2.73
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546994
N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 17468906
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24551831
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 27854104
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 31549369
N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24551967
2-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 47023652
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (CID 24552041) is 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is OAVGJQAKFYFGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-26(17-18-9-11-19(12-10-18)27-14-5-2-6-15-27)22(29)13-16-28-21-8-4-3-7-20(21)23(30)25-24(28)31/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,30,31).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 24552041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).