[1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C19H23N3O4 — CID 71151103

IUPAC[1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCc1ccc2ccc(=O)n(CCC34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C19H23N3O4/c1-13-2-3-14-4-5-15(23)22(16(14)20-13)11-10-19-8-6-18(7-9-19,12-26-19)21-17(24)25/h2-5,21H,6-12H2,1H3,(H,24,25)
InChIKeyDPVHWBPQFDTLFY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.44
Rot. Bonds4

About [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71151103) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71151103
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCc1ccc2ccc(=O)n(CCC34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C19H23N3O4/c1-13-2-3-14-4-5-15(23)22(16(14)20-13)11-10-19-8-6-18(7-9-19,12-26-19)21-17(24)25/h2-5,21H,6-12H2,1H3,(H,24,25)
InChIKeyDPVHWBPQFDTLFY-UHFFFAOYSA-N
XLogP2.44
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71151103) is [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is Cc1ccc2ccc(=O)n(CCC34CCC(NC(=O)O)(CC3)CO4)c2n1.
What is the InChIKey of [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is DPVHWBPQFDTLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-2-3-14-4-5-15(23)22(16(14)20-13)11-10-19-8-6-18(7-9-19,12-26-19)21-17(24)25/h2-5,21H,6-12H2,1H3,(H,24,25).
What are the key properties of [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 357.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-methyl-2-oxo-1,8-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71151103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).