N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide

C23H31N3O5 — CID 158985133

IUPACN-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide
SMILESCCOCC(=O)NC1CCC(Oc2cccc3nc(C)c(CC)c(N)c23)CC1.O=C=O
InChIInChI=1S/C22H31N3O3.CO2/c1-4-17-14(3)24-18-7-6-8-19(21(18)22(17)23)28-16-11-9-15(10-12-16)25-20(26)13-27-5-2;2-1-3/h6-8,15-16H,4-5,9-13H2,1-3H3,(H2,23,24)(H,25,26);
InChIKeyJPMCNYFWTYEEEM-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.95
Rot. Bonds7

About N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide

N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide (PubChem CID 158985133) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide.

Molecular Properties

Compound NameN-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide
PubChem CID158985133
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide
SMILESCCOCC(=O)NC1CCC(Oc2cccc3nc(C)c(CC)c(N)c23)CC1.O=C=O
InChIInChI=1S/C22H31N3O3.CO2/c1-4-17-14(3)24-18-7-6-8-19(21(18)22(17)23)28-16-11-9-15(10-12-16)25-20(26)13-27-5-2;2-1-3/h6-8,15-16H,4-5,9-13H2,1-3H3,(H2,23,24)(H,25,26);
InChIKeyJPMCNYFWTYEEEM-UHFFFAOYSA-N
XLogP2.95
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-5-[4-[[2-(2-ethoxyethoxy)acetyl]amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121444091
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434
4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121328194
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
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-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
4-amino-5-[4-[[(2-methoxyacetyl)amino]methyl]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121318950
carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 159704825
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide?
The IUPAC name of N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide (CID 158985133) is N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide.
What is the SMILES notation for N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide?
The canonical SMILES for N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide is CCOCC(=O)NC1CCC(Oc2cccc3nc(C)c(CC)c(N)c23)CC1.O=C=O.
What is the InChIKey of N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide?
The InChIKey is JPMCNYFWTYEEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3.CO2/c1-4-17-14(3)24-18-7-6-8-19(21(18)22(17)23)28-16-11-9-15(10-12-16)25-20(26)13-27-5-2;2-1-3/h6-8,15-16H,4-5,9-13H2,1-3H3,(H2,23,24)(H,25,26);.
What are the key properties of N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide?
N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide has a molecular weight of 429.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide is sourced from PubChem (CID 158985133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).