3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide

C24H28N4O4 — CID 56551373

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C24H28N4O4/c29-19-9-12-27(13-10-19)16-18-7-5-17(6-8-18)15-25-22(30)11-14-28-21-4-2-1-3-20(21)23(31)26-24(28)32/h1-8,19,29H,9-16H2,(H,25,30)(H,26,31,32)
InChIKeyASBFZBAOMWJOBK-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.35
Rot. Bonds7

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

3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 56551373) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID56551373
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C24H28N4O4/c29-19-9-12-27(13-10-19)16-18-7-5-17(6-8-18)15-25-22(30)11-14-28-21-4-2-1-3-20(21)23(31)26-24(28)32/h1-8,19,29H,9-16H2,(H,25,30)(H,26,31,32)
InChIKeyASBFZBAOMWJOBK-UHFFFAOYSA-N
XLogP1.35
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide with MolForge

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Related Compounds

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551818
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 24544090
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 47058183
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557041

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 56551373) is 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is ASBFZBAOMWJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-19-9-12-27(13-10-19)16-18-7-5-17(6-8-18)15-25-22(30)11-14-28-21-4-2-1-3-20(21)23(31)26-24(28)32/h1-8,19,29H,9-16H2,(H,25,30)(H,26,31,32).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 436.51 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 56551373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).