3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

C25H30N4O5 — CID 46247565

IUPAC3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)C1
InChIInChI=1S/C25H30N4O5/c1-17-12-18(2)15-27(14-17)23(31)16-29-21-8-4-3-7-20(21)24(32)28(25(29)33)10-9-22(30)26-13-19-6-5-11-34-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3,(H,26,30)
InChIKeyYAWBEUJMBGPHNF-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.97
Rot. Bonds7

About 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide

3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 46247565) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID46247565
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCC1CC(C)CN(C(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)C1
InChIInChI=1S/C25H30N4O5/c1-17-12-18(2)15-27(14-17)23(31)16-29-21-8-4-3-7-20(21)24(32)28(25(29)33)10-9-22(30)26-13-19-6-5-11-34-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3,(H,26,30)
InChIKeyYAWBEUJMBGPHNF-UHFFFAOYSA-N
XLogP1.97
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 6621384
N-cyclopentyl-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 6621477
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 3236263
5-[2,4-dioxo-1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]quinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 94071172
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 98194202
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 98194200
5-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762811
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247600
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22429989
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 46247565) is 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide is CC1CC(C)CN(C(=O)Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)C1.
What is the InChIKey of 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is YAWBEUJMBGPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-17-12-18(2)15-27(14-17)23(31)16-29-21-8-4-3-7-20(21)24(32)28(25(29)33)10-9-22(30)26-13-19-6-5-11-34-19/h3-8,11,17-18H,9-10,12-16H2,1-2H3,(H,26,30).
What are the key properties of 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide?
3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 466.54 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 46247565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).