2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C14H22N4O — CID 135417580

IUPAC2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C14H22N4O/c1-2-17-7-9-18(10-8-17)14-15-12-6-4-3-5-11(12)13(19)16-14/h2-10H2,1H3,(H,15,16,19)
InChIKeyHIZHVNCAMFEBIZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.79
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135417580) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135417580
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
InChIInChI=1S/C14H22N4O/c1-2-17-7-9-18(10-8-17)14-15-12-6-4-3-5-11(12)13(19)16-14/h2-10H2,1H3,(H,15,16,19)
InChIKeyHIZHVNCAMFEBIZ-UHFFFAOYSA-N
XLogP0.79
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135417580) is 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is HIZHVNCAMFEBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-17-7-9-18(10-8-17)14-15-12-6-4-3-5-11(12)13(19)16-14/h2-10H2,1H3,(H,15,16,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 262.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135417580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).