1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one

C21H28N2O2 — CID 58460393

IUPAC1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
SMILESCc1cc(N)c2c(OC3CCC(C(=O)CC(C)C)CC3)cccc2n1
InChIInChI=1S/C21H28N2O2/c1-13(2)11-19(24)15-7-9-16(10-8-15)25-20-6-4-5-18-21(20)17(22)12-14(3)23-18/h4-6,12-13,15-16H,7-11H2,1-3H3,(H2,22,23)
InChIKeyWQLATVDJOPKKMZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.68
Rot. Bonds5

About 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one

1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one (PubChem CID 58460393) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
PubChem CID58460393
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
SMILESCc1cc(N)c2c(OC3CCC(C(=O)CC(C)C)CC3)cccc2n1
InChIInChI=1S/C21H28N2O2/c1-13(2)11-19(24)15-7-9-16(10-8-15)25-20-6-4-5-18-21(20)17(22)12-14(3)23-18/h4-6,12-13,15-16H,7-11H2,1-3H3,(H2,22,23)
InChIKeyWQLATVDJOPKKMZ-UHFFFAOYSA-N
XLogP4.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
CID 121442457
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
CID 161340075
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
CID 121442417
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
CID 121442437
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
CID 158551918
5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 121442465
carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 159704825
1-[4-[(4-amino-2-methylquinolin-5-yl)oxymethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 58460342
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434
5-(cyclopentylmethoxy)-2-methylquinolin-4-amine
CID 58460313
N-[1-(4-amino-2-methylquinolin-5-yl)oxypropan-2-yl]benzamide
CID 58460351
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one (CID 58460393) is 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one is Cc1cc(N)c2c(OC3CCC(C(=O)CC(C)C)CC3)cccc2n1.
What is the InChIKey of 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one?
The InChIKey is WQLATVDJOPKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-13(2)11-19(24)15-7-9-16(10-8-15)25-20-6-4-5-18-21(20)17(22)12-14(3)23-18/h4-6,12-13,15-16H,7-11H2,1-3H3,(H2,22,23).
What are the key properties of 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one?
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one has a molecular weight of 340.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one is sourced from PubChem (CID 58460393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).