2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C19H26N4O3 — CID 73216669

IUPAC2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CN2C(=O)N=C3C=CC=CC3C2=O)CC1
InChIInChI=1S/C19H26N4O3/c1-14-7-11-22(12-8-14)10-4-9-20-17(24)13-23-18(25)15-5-2-3-6-16(15)21-19(23)26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,20,24)
InChIKeyQDSLYAMCMYNFDM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.37
Rot. Bonds6

About 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 73216669) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID73216669
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CN2C(=O)N=C3C=CC=CC3C2=O)CC1
InChIInChI=1S/C19H26N4O3/c1-14-7-11-22(12-8-14)10-4-9-20-17(24)13-23-18(25)15-5-2-3-6-16(15)21-19(23)26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,20,24)
InChIKeyQDSLYAMCMYNFDM-UHFFFAOYSA-N
XLogP1.37
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.37
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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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73216861
N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
CID 73216955
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73217511
1-[2-(6-bromo-3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)acetyl]piperidine-4-carboxamide
CID 73263084
N-(2-acetamidoethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73885929
N-[3-(4-methylpiperazin-1-yl)propyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73885938
N-[3-(2-ethylpiperidin-1-yl)propyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73885939
N-[2-(4-methylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73885941
N-[3-(2-methylpiperidin-1-yl)propyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73886050
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]-N-propan-2-ylpentanamide
CID 74526217
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-methylacetamide
CID 74650478
N-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propylamino]butyl]acetamide
CID 74957923

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 73216669) is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(CCCNC(=O)CN2C(=O)N=C3C=CC=CC3C2=O)CC1.
What is the InChIKey of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is QDSLYAMCMYNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-7-11-22(12-8-14)10-4-9-20-17(24)13-23-18(25)15-5-2-3-6-16(15)21-19(23)26/h2-3,5-6,14-15H,4,7-13H2,1H3,(H,20,24).
What are the key properties of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.37, 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-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 73216669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).