N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C18H21N3O3 — CID 86771105

IUPACN-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c2ccccc12)N1CCOC2(CCC2)C1
InChIInChI=1S/C18H21N3O3/c22-16-10-13(14-4-1-2-5-15(14)20-16)11-19-17(23)21-8-9-24-18(12-21)6-3-7-18/h1-2,4-5,10H,3,6-9,11-12H2,(H,19,23)(H,20,22)
InChIKeyJJXWGVYPTHKTMY-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.99
Rot. Bonds2

About N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 86771105) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID86771105
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(NCc1cc(=O)[nH]c2ccccc12)N1CCOC2(CCC2)C1
InChIInChI=1S/C18H21N3O3/c22-16-10-13(14-4-1-2-5-15(14)20-16)11-19-17(23)21-8-9-24-18(12-21)6-3-7-18/h1-2,4-5,10H,3,6-9,11-12H2,(H,19,23)(H,20,22)
InChIKeyJJXWGVYPTHKTMY-UHFFFAOYSA-N
XLogP1.99
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 86771105) is N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(NCc1cc(=O)[nH]c2ccccc12)N1CCOC2(CCC2)C1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is JJXWGVYPTHKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16-10-13(14-4-1-2-5-15(14)20-16)11-19-17(23)21-8-9-24-18(12-21)6-3-7-18/h1-2,4-5,10H,3,6-9,11-12H2,(H,19,23)(H,20,22).
What are the key properties of N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 86771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).