N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide

C23H31N3O3 — CID 121442437

IUPACN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
SMILESCc1cc(N)c2c(OC3CCC(NC(=O)COCC4CCC4)CC3)cccc2n1
InChIInChI=1S/C23H31N3O3/c1-15-12-19(24)23-20(25-15)6-3-7-21(23)29-18-10-8-17(9-11-18)26-22(27)14-28-13-16-4-2-5-16/h3,6-7,12,16-18H,2,4-5,8-11,13-14H2,1H3,(H2,24,25)(H,26,27)
InChIKeyXEGOFGOOHSDGSL-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.75
Rot. Bonds7

About N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide

N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide (PubChem CID 121442437) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
PubChem CID121442437
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
SMILESCc1cc(N)c2c(OC3CCC(NC(=O)COCC4CCC4)CC3)cccc2n1
InChIInChI=1S/C23H31N3O3/c1-15-12-19(24)23-20(25-15)6-3-7-21(23)29-18-10-8-17(9-11-18)26-22(27)14-28-13-16-4-2-5-16/h3,6-7,12,16-18H,2,4-5,8-11,13-14H2,1H3,(H2,24,25)(H,26,27)
InChIKeyXEGOFGOOHSDGSL-UHFFFAOYSA-N
XLogP3.75
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide
CID 121442417
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
CID 121442457
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-butoxyacetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclohexylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclopentylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-methoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-phenylmethoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide;hexakis(carbon dioxide)
CID 164954774
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
CID 161340075
N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide
CID 158985133
5-(cyclopentylmethoxy)-2-methylquinolin-4-amine
CID 58460313
1-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
4-amino-5-[4-[[2-(2-ethoxyethoxy)acetyl]amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121444091
carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 159704825
4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121328194
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 N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide?
The IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide (CID 121442437) is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide.
What is the SMILES notation for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide?
The canonical SMILES for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide is Cc1cc(N)c2c(OC3CCC(NC(=O)COCC4CCC4)CC3)cccc2n1.
What is the InChIKey of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide?
The InChIKey is XEGOFGOOHSDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15-12-19(24)23-20(25-15)6-3-7-21(23)29-18-10-8-17(9-11-18)26-22(27)14-28-13-16-4-2-5-16/h3,6-7,12,16-18H,2,4-5,8-11,13-14H2,1H3,(H2,24,25)(H,26,27).
What are the key properties of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide?
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide is sourced from PubChem (CID 121442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).