carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine

C23H27N5O3 — CID 159704825

IUPACcarbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
SMILESCCc1cnc(NC2CCC(Oc3cccc4nc(C)cc(N)c34)CC2)nc1.O=C=O
InChIInChI=1S/C22H27N5O.CO2/c1-3-15-12-24-22(25-13-15)27-16-7-9-17(10-8-16)28-20-6-4-5-19-21(20)18(23)11-14(2)26-19;2-1-3/h4-6,11-13,16-17H,3,7-10H2,1-2H3,(H2,23,26)(H,24,25,27);
InChIKeyMYBPIUVJZGWNLM-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.70
Rot. Bonds5

About carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine

carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine (PubChem CID 159704825) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine.

Molecular Properties

Compound Namecarbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
PubChem CID159704825
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Namecarbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
SMILESCCc1cnc(NC2CCC(Oc3cccc4nc(C)cc(N)c34)CC2)nc1.O=C=O
InChIInChI=1S/C22H27N5O.CO2/c1-3-15-12-24-22(25-13-15)27-16-7-9-17(10-8-16)28-20-6-4-5-19-21(20)18(23)11-14(2)26-19;2-1-3/h4-6,11-13,16-17H,3,7-10H2,1-2H3,(H2,23,26)(H,24,25,27);
InChIKeyMYBPIUVJZGWNLM-UHFFFAOYSA-N
XLogP3.70
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 121442465
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
CID 161340075
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
CID 121442457
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-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
CID 158551918
5-(cyclopentylmethoxy)-2-methylquinolin-4-amine
CID 58460313
N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide
CID 158985133
5-(2-ethylbutoxy)-2-methylquinolin-4-amine
CID 58460399
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 carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
The IUPAC name of carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine (CID 159704825) is carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine.
What is the SMILES notation for carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
The canonical SMILES for carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine is CCc1cnc(NC2CCC(Oc3cccc4nc(C)cc(N)c34)CC2)nc1.O=C=O.
What is the InChIKey of carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
The InChIKey is MYBPIUVJZGWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O.CO2/c1-3-15-12-24-22(25-13-15)27-16-7-9-17(10-8-16)28-20-6-4-5-19-21(20)18(23)11-14(2)26-19;2-1-3/h4-6,11-13,16-17H,3,7-10H2,1-2H3,(H2,23,26)(H,24,25,27);.
What are the key properties of carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine?
carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine has a molecular weight of 421.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-[4-[(5-ethylpyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine is sourced from PubChem (CID 159704825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).