[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone

C28H27N3O2 — CID 108731152

IUPAC[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)nc2c(C)cccc12
InChIInChI=1S/C28H27N3O2/c1-20-8-6-13-25-21(2)18-26(29-27(20)25)30-14-16-31(17-15-30)28(32)22-9-7-12-24(19-22)33-23-10-4-3-5-11-23/h3-13,18-19H,14-17H2,1-2H3
InChIKeySUPDDXUKPJZNEL-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.61
Rot. Bonds4

About [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone

[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone (PubChem CID 108731152) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
PubChem CID108731152
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)nc2c(C)cccc12
InChIInChI=1S/C28H27N3O2/c1-20-8-6-13-25-21(2)18-26(29-27(20)25)30-14-16-31(17-15-30)28(32)22-9-7-12-24(19-22)33-23-10-4-3-5-11-23/h3-13,18-19H,14-17H2,1-2H3
InChIKeySUPDDXUKPJZNEL-UHFFFAOYSA-N
XLogP5.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 26843254
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 108754718
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(4-methyl-3,5-dinitrophenyl)methanone
CID 108731197
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 41027399
2-butan-2-yl-5-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108754755
(3-phenoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 5137959
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224

Frequently Asked Questions

What is the IUPAC name of [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone?
The IUPAC name of [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone (CID 108731152) is [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone?
The canonical SMILES for [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone is Cc1cc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)nc2c(C)cccc12.
What is the InChIKey of [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone?
The InChIKey is SUPDDXUKPJZNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-20-8-6-13-25-21(2)18-26(29-27(20)25)30-14-16-31(17-15-30)28(32)22-9-7-12-24(19-22)33-23-10-4-3-5-11-23/h3-13,18-19H,14-17H2,1-2H3.
What are the key properties of [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone?
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone has a molecular weight of 437.54 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone is sourced from PubChem (CID 108731152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).