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

C16H24N4O — CID 3161777

IUPAC2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C16H24N4O/c1-4-19-5-7-20(8-6-19)16-17-12(3)15-13(18-16)9-11(2)10-14(15)21/h11H,4-10H2,1-3H3
InChIKeyXGNJYJCJEFIRJQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.69
Rot. Bonds2

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

2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3161777) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3161777
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCCN1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C16H24N4O/c1-4-19-5-7-20(8-6-19)16-17-12(3)15-13(18-16)9-11(2)10-14(15)21/h11H,4-10H2,1-3H3
InChIKeyXGNJYJCJEFIRJQ-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-7,7-dimethyl-4-propyl-7,8-dihydroquinazolin-5(6H)-one
CID 2834688
Ethyl 4-(4,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
CID 665873
2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 666510
2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 666977
2-(4-ethylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 1831288
2-Amino-4-ethyl-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 2851058
4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 667243
ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
CID 667257
4-methyl-2-(4-methylpiperidin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydroquinazolin-5(6H)-one
CID 16652984
2-amino-4-butyl-7,7-dimethyl-7,8-dihydro-5(6H)-quinazolinone
CID 23933548
7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 16583951
7-Methyl-2-piperidyl-6,7,8-trihydroquinazolin-5-one
CID 2984723

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 3161777) is 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is CCN1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XGNJYJCJEFIRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-19-5-7-20(8-6-19)16-17-12(3)15-13(18-16)9-11(2)10-14(15)21/h11H,4-10H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 288.39 g/mol, XLogP of 1.69, 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-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3161777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).