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

C20H24ClN3O — CID 2823693

IUPAC[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H24ClN3O/c21-16-6-7-17-18(14-16)22-9-8-19(17)23-10-12-24(13-11-23)20(25)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2
InChIKeyNWPLPOACXICHEB-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.12
Rot. Bonds2

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

[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 2823693) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID2823693
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H24ClN3O/c21-16-6-7-17-18(14-16)22-9-8-19(17)23-10-12-24(13-11-23)20(25)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2
InChIKeyNWPLPOACXICHEB-UHFFFAOYSA-N
XLogP4.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.12
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]-cyclohexylmethanone?
The IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone (CID 2823693) is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is NWPLPOACXICHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-16-6-7-17-18(14-16)22-9-8-19(17)23-10-12-24(13-11-23)20(25)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2.
What are the key properties of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone?
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 357.88 g/mol, XLogP of 4.12, 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]-cyclohexylmethanone is sourced from PubChem (CID 2823693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).