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

C23H29N3O4 — CID 161340075

IUPACN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
SMILESCc1cc(N)c2c(OC3CCC(NC(=O)C4CCCC4)CC3)cccc2n1.O=C=O
InChIInChI=1S/C22H29N3O2.CO2/c1-14-13-18(23)21-19(24-14)7-4-8-20(21)27-17-11-9-16(10-12-17)25-22(26)15-5-2-3-6-15;2-1-3/h4,7-8,13,15-17H,2-3,5-6,9-12H2,1H3,(H2,23,24)(H,25,26);
InChIKeyVMNWYPHVAIBEEV-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.54
Rot. Bonds4

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

N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide (PubChem CID 161340075) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
PubChem CID161340075
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide
SMILESCc1cc(N)c2c(OC3CCC(NC(=O)C4CCCC4)CC3)cccc2n1.O=C=O
InChIInChI=1S/C22H29N3O2.CO2/c1-14-13-18(23)21-19(24-14)7-4-8-20(21)27-17-11-9-16(10-12-17)25-22(26)15-5-2-3-6-15;2-1-3/h4,7-8,13,15-17H,2-3,5-6,9-12H2,1H3,(H2,23,24)(H,25,26);
InChIKeyVMNWYPHVAIBEEV-UHFFFAOYSA-N
XLogP3.54
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-2-propoxyacetamide
CID 121442417
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclobutylmethoxy)acetamide
CID 121442437
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)oxycyclohexyl]-3-methylbutan-1-one
CID 58460393
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide
CID 58460358
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
5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinolin-4-amine
CID 121442465
1-[3-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;carbon dioxide
CID 158551918
4-(4-amino-2-methylquinolin-5-yl)oxy-1-cyclobutyl-3,3-dimethylbutan-2-one;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-methylpropanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclohexanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbutanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-methylpropanamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]propanamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;octakis(carbon dioxide)
CID 158470521
N-[4-(4-amino-2-ethylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide
CID 121442434
N-[4-(4-amino-3-ethyl-2-methylquinolin-5-yl)oxycyclohexyl]-2-ethoxyacetamide;carbon dioxide
CID 158985133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide?
The IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide (CID 161340075) is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide.
What is the SMILES notation for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide?
The canonical SMILES for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide is Cc1cc(N)c2c(OC3CCC(NC(=O)C4CCCC4)CC3)cccc2n1.O=C=O.
What is the InChIKey of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide?
The InChIKey is VMNWYPHVAIBEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.CO2/c1-14-13-18(23)21-19(24-14)7-4-8-20(21)27-17-11-9-16(10-12-17)25-22(26)15-5-2-3-6-15;2-1-3/h4,7-8,13,15-17H,2-3,5-6,9-12H2,1H3,(H2,23,24)(H,25,26);.
What are the key properties of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide?
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide has a molecular weight of 411.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]cyclopentanecarboxamide;carbon dioxide is sourced from PubChem (CID 161340075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).