2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide

C18H24N4O3 — CID 78341556

IUPAC2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCCCN1CCCCC1
InChIInChI=1S/C18H24N4O3/c23-16(19-9-6-12-21-10-4-1-5-11-21)13-22-17(24)14-7-2-3-8-15(14)20-18(22)25/h2-3,7-8,14H,1,4-6,9-13H2,(H,19,23)
InChIKeyPFBCRDZRYDFXJK-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.12
Rot. Bonds6

About 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 78341556) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID78341556
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCCCN1CCCCC1
InChIInChI=1S/C18H24N4O3/c23-16(19-9-6-12-21-10-4-1-5-11-21)13-22-17(24)14-7-2-3-8-15(14)20-18(22)25/h2-3,7-8,14H,1,4-6,9-13H2,(H,19,23)
InChIKeyPFBCRDZRYDFXJK-UHFFFAOYSA-N
XLogP1.12
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide (CID 78341556) is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide is O=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCCCN1CCCCC1.
What is the InChIKey of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is PFBCRDZRYDFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16(19-9-6-12-21-10-4-1-5-11-21)13-22-17(24)14-7-2-3-8-15(14)20-18(22)25/h2-3,7-8,14H,1,4-6,9-13H2,(H,19,23).
What are the key properties of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 78341556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).