(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone

C16H18ClN3O — CID 71877406

IUPAC(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-11-10-19(2)6-7-20(11)16(21)14-9-13(17)8-12-4-3-5-18-15(12)14/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyAKZMDZZUFCGYFA-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.66
Rot. Bonds1

About (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone

(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 71877406) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID71877406
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-11-10-19(2)6-7-20(11)16(21)14-9-13(17)8-12-4-3-5-18-15(12)14/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyAKZMDZZUFCGYFA-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone (CID 71877406) is (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is AKZMDZZUFCGYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-10-19(2)6-7-20(11)16(21)14-9-13(17)8-12-4-3-5-18-15(12)14/h3-5,8-9,11H,6-7,10H2,1-2H3.
What are the key properties of (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 303.79 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 71877406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).