3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one

C25H35N3O3 — CID 5298372

IUPAC3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OC)c2c(C)cc(N3CCN(C(=O)CCC4CCCCC4)CC3)nc12
InChIInChI=1S/C25H35N3O3/c1-18-17-22(26-25-21(31-3)11-10-20(30-2)24(18)25)27-13-15-28(16-14-27)23(29)12-9-19-7-5-4-6-8-19/h10-11,17,19H,4-9,12-16H2,1-3H3
InChIKeyHEEGKQJOILSFQI-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.57
Rot. Bonds6

About 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 5298372) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
PubChem CID5298372
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OC)c2c(C)cc(N3CCN(C(=O)CCC4CCCCC4)CC3)nc12
InChIInChI=1S/C25H35N3O3/c1-18-17-22(26-25-21(31-3)11-10-20(30-2)24(18)25)27-13-15-28(16-14-27)23(29)12-9-19-7-5-4-6-8-19/h10-11,17,19H,4-9,12-16H2,1-3H3
InChIKeyHEEGKQJOILSFQI-UHFFFAOYSA-N
XLogP4.57
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one (CID 5298372) is 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one is COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)CCC4CCCCC4)CC3)nc12.
What is the InChIKey of 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is HEEGKQJOILSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18-17-22(26-25-21(31-3)11-10-20(30-2)24(18)25)27-13-15-28(16-14-27)23(29)12-9-19-7-5-4-6-8-19/h10-11,17,19H,4-9,12-16H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 425.57 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 5298372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).