1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone

C16H19ClN4O — CID 138600724

IUPAC1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone
SMILESCCc1nc(N2CCN(C(C)=O)CC2)c2c(Cl)cccc2n1
InChIInChI=1S/C16H19ClN4O/c1-3-14-18-13-6-4-5-12(17)15(13)16(19-14)21-9-7-20(8-10-21)11(2)22/h4-6H,3,7-10H2,1-2H3
InChIKeyQMJOGFORDWWFSX-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.51
Rot. Bonds2

About 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone

1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone (PubChem CID 138600724) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone
PubChem CID138600724
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone
SMILESCCc1nc(N2CCN(C(C)=O)CC2)c2c(Cl)cccc2n1
InChIInChI=1S/C16H19ClN4O/c1-3-14-18-13-6-4-5-12(17)15(13)16(19-14)21-9-7-20(8-10-21)11(2)22/h4-6H,3,7-10H2,1-2H3
InChIKeyQMJOGFORDWWFSX-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone (CID 138600724) is 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone is CCc1nc(N2CCN(C(C)=O)CC2)c2c(Cl)cccc2n1.
What is the InChIKey of 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is QMJOGFORDWWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-14-18-13-6-4-5-12(17)15(13)16(19-14)21-9-7-20(8-10-21)11(2)22/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone?
1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 318.81 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 138600724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).