4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

C16H25N5O2 — CID 16584663

IUPAC4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C16H25N5O2/c1-2-17-15-14-12(4-3-5-13(14)23)18-16(19-15)21-8-6-20(7-9-21)10-11-22/h22H,2-11H2,1H3,(H,17,18,19)
InChIKeyZDJHAMLBOXAIFD-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.54
Rot. Bonds5

About 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one

4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584663) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584663
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C16H25N5O2/c1-2-17-15-14-12(4-3-5-13(14)23)18-16(19-15)21-8-6-20(7-9-21)10-11-22/h22H,2-11H2,1H3,(H,17,18,19)
InChIKeyZDJHAMLBOXAIFD-UHFFFAOYSA-N
XLogP0.54
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 16584663) is 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is CCNc1nc(N2CCN(CCO)CC2)nc2c1C(=O)CCC2.
What is the InChIKey of 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZDJHAMLBOXAIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-17-15-14-12(4-3-5-13(14)23)18-16(19-15)21-8-6-20(7-9-21)10-11-22/h22H,2-11H2,1H3,(H,17,18,19).
What are the key properties of 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 319.41 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).