2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one

C16H20N4O2 — CID 167837886

IUPAC2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one
SMILESCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C(C)C1
InChIInChI=1S/C16H20N4O2/c1-3-19-8-9-20(11(2)10-19)16(22)14-17-13-7-5-4-6-12(13)15(21)18-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,18,21)
InChIKeyNHOKWBBYDHFCGB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one

2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one (PubChem CID 167837886) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one
PubChem CID167837886
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one
SMILESCCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C(C)C1
InChIInChI=1S/C16H20N4O2/c1-3-19-8-9-20(11(2)10-19)16(22)14-17-13-7-5-4-6-12(13)15(21)18-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,18,21)
InChIKeyNHOKWBBYDHFCGB-UHFFFAOYSA-N
XLogP1.09
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one (CID 167837886) is 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one is CCN1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C(C)C1.
What is the InChIKey of 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
The InChIKey is NHOKWBBYDHFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-19-8-9-20(11(2)10-19)16(22)14-17-13-7-5-4-6-12(13)15(21)18-14/h4-7,11H,3,8-10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one?
2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one has a molecular weight of 300.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 167837886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).