2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C18H27N5O2 — CID 137058256

IUPAC2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=C(CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1)N1CCCC1
InChIInChI=1S/C18H27N5O2/c24-16(22-7-3-4-8-22)13-21-9-11-23(12-10-21)18-19-15-6-2-1-5-14(15)17(25)20-18/h1-13H2,(H,19,20,25)
InChIKeyKZQYFYJYIQLDEK-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.39
Rot. Bonds3

About 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 137058256) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID137058256
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=C(CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1)N1CCCC1
InChIInChI=1S/C18H27N5O2/c24-16(22-7-3-4-8-22)13-21-9-11-23(12-10-21)18-19-15-6-2-1-5-14(15)17(25)20-18/h1-13H2,(H,19,20,25)
InChIKeyKZQYFYJYIQLDEK-UHFFFAOYSA-N
XLogP0.39
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 137058256) is 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=C(CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is KZQYFYJYIQLDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-16(22-7-3-4-8-22)13-21-9-11-23(12-10-21)18-19-15-6-2-1-5-14(15)17(25)20-18/h1-13H2,(H,19,20,25).
What are the key properties of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 345.45 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 137058256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).