2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one

C12H16N2O2 — CID 90683110

IUPAC2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCCCCOc1ccc2c(n1)CCNC2=O
InChIInChI=1S/C12H16N2O2/c1-2-3-8-16-11-5-4-9-10(14-11)6-7-13-12(9)15/h4-5H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyOYGFZWFASHDSTD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.55
Rot. Bonds4

About 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 90683110) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID90683110
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCCCCOc1ccc2c(n1)CCNC2=O
InChIInChI=1S/C12H16N2O2/c1-2-3-8-16-11-5-4-9-10(14-11)6-7-13-12(9)15/h4-5H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyOYGFZWFASHDSTD-UHFFFAOYSA-N
XLogP1.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-8-decoxy-5,6-dihydro-4,7-phenanthroline
CID 57068424
3-butoxy-8-hexoxy-5,6-dihydro-4,7-phenanthroline
CID 57133446
3-hexoxy-8-nonoxy-5,6-dihydro-4,7-phenanthroline
CID 57258653
2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 123813800
7-butoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 145310441
2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 122696780
8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline
CID 57286195
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 141213049
2-(phenoxymethyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 90645513
7-fluoro-8-heptoxy-3-octoxy-5,6-dihydrobenzo[f]quinoline
CID 57165176
7-fluoro-3-heptoxy-8-octoxy-5,6-dihydrobenzo[f]quinoline
CID 57174926
1-(4-butoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524964

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 90683110) is 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one is CCCCOc1ccc2c(n1)CCNC2=O.
What is the InChIKey of 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is OYGFZWFASHDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-8-16-11-5-4-9-10(14-11)6-7-13-12(9)15/h4-5H,2-3,6-8H2,1H3,(H,13,15).
What are the key properties of 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 220.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 90683110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).