N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide

C18H20N2O2 — CID 86769533

IUPACN-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC23CCOCC3)c2cccnc12
InChIInChI=1S/C18H20N2O2/c1-12-4-5-15(13-3-2-8-19-16(12)13)20-17(21)14-11-18(14)6-9-22-10-7-18/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21)
InChIKeyAPRREZHYMSPFHA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds2

About N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide

N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 86769533) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID86769533
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CC23CCOCC3)c2cccnc12
InChIInChI=1S/C18H20N2O2/c1-12-4-5-15(13-3-2-8-19-16(12)13)20-17(21)14-11-18(14)6-9-22-10-7-18/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21)
InChIKeyAPRREZHYMSPFHA-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-methylquinolin-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51065829
N-(8-methylquinolin-5-yl)-1,3-thiazolidine-4-carboxamide
CID 43712886
3-methyl-N-(8-methylquinolin-5-yl)piperidine-2-carboxamide
CID 107067502
8-methyl-N-(oxepan-4-yl)quinolin-5-amine
CID 65082047
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 72929088
N-[4-(4-fluorophenyl)-3-pyridinyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 154789112
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
CID 46404652
N-(8-methylquinolin-5-yl)-2-propan-2-yloxyacetamide
CID 47418219

Frequently Asked Questions

What is the IUPAC name of N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide (CID 86769533) is N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide is Cc1ccc(NC(=O)C2CC23CCOCC3)c2cccnc12.
What is the InChIKey of N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is APRREZHYMSPFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-4-5-15(13-3-2-8-19-16(12)13)20-17(21)14-11-18(14)6-9-22-10-7-18/h2-5,8,14H,6-7,9-11H2,1H3,(H,20,21).
What are the key properties of N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide?
N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylquinolin-5-yl)-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 86769533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).