4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide

C26H31N5O4 — CID 3243671

IUPAC4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide
SMILESNC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21
InChIInChI=1S/C26H31N5O4/c27-23(32)18-31-22-10-5-4-9-21(22)25(34)30(26(31)35)14-6-11-24(33)28-20-12-15-29(16-13-20)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2,(H2,27,32)(H,28,33)
InChIKeyIDYBUBMXWZNBDD-UHFFFAOYSA-N
MW477.57 g/mol
LogP1.21
Rot. Bonds9

About 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide

4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide (PubChem CID 3243671) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide
PubChem CID3243671
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide
SMILESNC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21
InChIInChI=1S/C26H31N5O4/c27-23(32)18-31-22-10-5-4-9-21(22)25(34)30(26(31)35)14-6-11-24(33)28-20-12-15-29(16-13-20)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2,(H2,27,32)(H,28,33)
InChIKeyIDYBUBMXWZNBDD-UHFFFAOYSA-N
XLogP1.21
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide with MolForge

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Related Compounds

Ketanserin
CID 3822
Altanserin
CID 3033677
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Moquizone
CID 63216
Glycosmicine
CID 11788
Diacylglycerol Kinase Inhibitor Ii
CID 657356
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide?
The IUPAC name of 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide (CID 3243671) is 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide is NC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21.
What is the InChIKey of 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide?
The InChIKey is IDYBUBMXWZNBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c27-23(32)18-31-22-10-5-4-9-21(22)25(34)30(26(31)35)14-6-11-24(33)28-20-12-15-29(16-13-20)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2,(H2,27,32)(H,28,33).
What are the key properties of 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide?
4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide has a molecular weight of 477.57 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-amino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-(1-benzylpiperidin-4-yl)butanamide is sourced from PubChem (CID 3243671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).