[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone

C18H20ClN3O — CID 2823686

IUPAC[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H20ClN3O/c19-14-4-5-15-16(12-14)20-7-6-17(15)21-8-10-22(11-9-21)18(23)13-2-1-3-13/h4-7,12-13H,1-3,8-11H2
InChIKeyLQMPHJLROVSMNQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.34
Rot. Bonds2

About [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone

[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone (PubChem CID 2823686) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone
PubChem CID2823686
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H20ClN3O/c19-14-4-5-15-16(12-14)20-7-6-17(15)21-8-10-22(11-9-21)18(23)13-2-1-3-13/h4-7,12-13H,1-3,8-11H2
InChIKeyLQMPHJLROVSMNQ-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone (CID 2823686) is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is LQMPHJLROVSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-4-5-15-16(12-14)20-7-6-17(15)21-8-10-22(11-9-21)18(23)13-2-1-3-13/h4-7,12-13H,1-3,8-11H2.
What are the key properties of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone?
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 329.83 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 2823686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).