2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one

C17H26N4O2 — CID 16652966

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H26N4O2/c1-12-15-13(10-17(2,3)11-14(15)23)19-16(18-12)21-6-4-20(5-7-21)8-9-22/h22H,4-11H2,1-3H3
InChIKeyJIXVMQUYELEFRW-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one

2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 16652966) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
PubChem CID16652966
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
SMILESCc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H26N4O2/c1-12-15-13(10-17(2,3)11-14(15)23)19-16(18-12)21-6-4-20(5-7-21)8-9-22/h22H,4-11H2,1-3H3
InChIKeyJIXVMQUYELEFRW-UHFFFAOYSA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one (CID 16652966) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one is Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is JIXVMQUYELEFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-15-13(10-17(2,3)11-14(15)23)19-16(18-12)21-6-4-20(5-7-21)8-9-22/h22H,4-11H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 318.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 16652966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).