1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one

C14H19N3O — CID 143217136

IUPAC1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one
SMILESCN1CCCC2(CC1)Cc1cnccc1NC2=O
InChIInChI=1S/C14H19N3O/c1-17-7-2-4-14(5-8-17)9-11-10-15-6-3-12(11)16-13(14)18/h3,6,10H,2,4-5,7-9H2,1H3,(H,16,18)
InChIKeyXUVAAPLGOHCIMB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds

About 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one

1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one (PubChem CID 143217136) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one.

Molecular Properties

Compound Name1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one
PubChem CID143217136
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one
SMILESCN1CCCC2(CC1)Cc1cnccc1NC2=O
InChIInChI=1S/C14H19N3O/c1-17-7-2-4-14(5-8-17)9-11-10-15-6-3-12(11)16-13(14)18/h3,6,10H,2,4-5,7-9H2,1H3,(H,16,18)
InChIKeyXUVAAPLGOHCIMB-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one?
The IUPAC name of 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one (CID 143217136) is 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one.
What is the SMILES notation for 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one?
The canonical SMILES for 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one is CN1CCCC2(CC1)Cc1cnccc1NC2=O.
What is the InChIKey of 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one?
The InChIKey is XUVAAPLGOHCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-7-2-4-14(5-8-17)9-11-10-15-6-3-12(11)16-13(14)18/h3,6,10H,2,4-5,7-9H2,1H3,(H,16,18).
What are the key properties of 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one?
1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one is sourced from PubChem (CID 143217136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).