N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide

C15H17N3O3 — CID 78327447

IUPACN-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCC1
InChIInChI=1S/C15H17N3O3/c19-13(16-10-5-1-2-6-10)9-18-14(20)11-7-3-4-8-12(11)17-15(18)21/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,19)
InChIKeyPVGPLJHUAUAQCL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds3

About N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide

N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide (PubChem CID 78327447) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
PubChem CID78327447
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCC1
InChIInChI=1S/C15H17N3O3/c19-13(16-10-5-1-2-6-10)9-18-14(20)11-7-3-4-8-12(11)17-15(18)21/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,19)
InChIKeyPVGPLJHUAUAQCL-UHFFFAOYSA-N
XLogP1.19
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide (CID 78327447) is N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide is O=C(CN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
The InChIKey is PVGPLJHUAUAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(16-10-5-1-2-6-10)9-18-14(20)11-7-3-4-8-12(11)17-15(18)21/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,16,19).
What are the key properties of N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide?
N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide is sourced from PubChem (CID 78327447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).