2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one

C17H26N4O — CID 17190233

IUPAC2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
SMILESCCN1CCN(c2nc(C)c3c(n2)CC(C)(C)CC3=O)CC1
InChIInChI=1S/C17H26N4O/c1-5-20-6-8-21(9-7-20)16-18-12(2)15-13(19-16)10-17(3,4)11-14(15)22/h5-11H2,1-4H3
InChIKeyWNZJKYABXWEOSN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one

2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 17190233) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
PubChem CID17190233
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
SMILESCCN1CCN(c2nc(C)c3c(n2)CC(C)(C)CC3=O)CC1
InChIInChI=1S/C17H26N4O/c1-5-20-6-8-21(9-7-20)16-18-12(2)15-13(19-16)10-17(3,4)11-14(15)22/h5-11H2,1-4H3
InChIKeyWNZJKYABXWEOSN-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one (CID 17190233) is 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one is CCN1CCN(c2nc(C)c3c(n2)CC(C)(C)CC3=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is WNZJKYABXWEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-5-20-6-8-21(9-7-20)16-18-12(2)15-13(19-16)10-17(3,4)11-14(15)22/h5-11H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 302.42 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 17190233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).