2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide

C16H20N4O3 — CID 120599144

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCN1
InChIInChI=1S/C16H20N4O3/c1-10-8-11(6-7-17-10)18-14(21)9-20-15(22)12-4-2-3-5-13(12)19-16(20)23/h2-5,10-11,17H,6-9H2,1H3,(H,18,21)(H,19,23)
InChIKeyMVCTZGPDBZJQLA-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.05
Rot. Bonds3

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120599144) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120599144
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCN1
InChIInChI=1S/C16H20N4O3/c1-10-8-11(6-7-17-10)18-14(21)9-20-15(22)12-4-2-3-5-13(12)19-16(20)23/h2-5,10-11,17H,6-9H2,1H3,(H,18,21)(H,19,23)
InChIKeyMVCTZGPDBZJQLA-UHFFFAOYSA-N
XLogP-0.05
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide (CID 120599144) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide is CC1CC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCN1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is MVCTZGPDBZJQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-8-11(6-7-17-10)18-14(21)9-20-15(22)12-4-2-3-5-13(12)19-16(20)23/h2-5,10-11,17H,6-9H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120599144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).