[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone

C20H24ClN3O — CID 75400939

IUPAC[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone
SMILESCC1(C)CN(C(=O)C2CC2)CCN1Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C20H24ClN3O/c1-20(2)13-23(19(25)14-5-6-14)8-9-24(20)12-16-11-17(21)10-15-4-3-7-22-18(15)16/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3
InChIKeyVBQRBHBHLJZNPC-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.72
Rot. Bonds3

About [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone

[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone (PubChem CID 75400939) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone
PubChem CID75400939
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone
SMILESCC1(C)CN(C(=O)C2CC2)CCN1Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C20H24ClN3O/c1-20(2)13-23(19(25)14-5-6-14)8-9-24(20)12-16-11-17(21)10-15-4-3-7-22-18(15)16/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3
InChIKeyVBQRBHBHLJZNPC-UHFFFAOYSA-N
XLogP3.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone (CID 75400939) is [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone is CC1(C)CN(C(=O)C2CC2)CCN1Cc1cc(Cl)cc2cccnc12.
What is the InChIKey of [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone?
The InChIKey is VBQRBHBHLJZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-20(2)13-23(19(25)14-5-6-14)8-9-24(20)12-16-11-17(21)10-15-4-3-7-22-18(15)16/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3.
What are the key properties of [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone?
[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone has a molecular weight of 357.89 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 75400939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).