3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one

C23H33N3O2 — CID 23800077

IUPAC3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(CN1CCN(C3CCCCC3)CC1)c(C)n2C
InChIInChI=1S/C23H33N3O2/c1-17-21(23(27)20-15-19(28-3)9-10-22(20)24(17)2)16-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3
InChIKeyTVTPNAFVCSRZDE-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.31
Rot. Bonds4

About 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one

3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one (PubChem CID 23800077) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one.

Molecular Properties

Compound Name3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one
PubChem CID23800077
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one
SMILESCOc1ccc2c(c1)c(=O)c(CN1CCN(C3CCCCC3)CC1)c(C)n2C
InChIInChI=1S/C23H33N3O2/c1-17-21(23(27)20-15-19(28-3)9-10-22(20)24(17)2)16-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3
InChIKeyTVTPNAFVCSRZDE-UHFFFAOYSA-N
XLogP3.31
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one with MolForge

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Related Compounds

3-[4-(4-cyclohexylpiperazin-1-yl)butyl]-6-methoxy-1,3-benzoxazol-2-one
CID 59630099
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one
CID 23768353
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one?
The IUPAC name of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one (CID 23800077) is 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one.
What is the SMILES notation for 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one?
The canonical SMILES for 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one is COc1ccc2c(c1)c(=O)c(CN1CCN(C3CCCCC3)CC1)c(C)n2C.
What is the InChIKey of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one?
The InChIKey is TVTPNAFVCSRZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17-21(23(27)20-15-19(28-3)9-10-22(20)24(17)2)16-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14,16H2,1-3H3.
What are the key properties of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one?
3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one has a molecular weight of 383.54 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylpiperazin-1-yl)methyl]-6-methoxy-1,2-dimethylquinolin-4-one is sourced from PubChem (CID 23800077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).