2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine

C16H16F2N2O2 — CID 121456143

IUPAC2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1cc2c(cn1)CN(c1cc(F)c(F)c(OC)c1)CC2
InChIInChI=1S/C16H16F2N2O2/c1-21-14-7-12(6-13(17)16(14)18)20-4-3-10-5-15(22-2)19-8-11(10)9-20/h5-8H,3-4,9H2,1-2H3
InChIKeyHEEWUUAQAFGSTJ-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.94
Rot. Bonds3

About 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine

2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 121456143) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID121456143
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1cc2c(cn1)CN(c1cc(F)c(F)c(OC)c1)CC2
InChIInChI=1S/C16H16F2N2O2/c1-21-14-7-12(6-13(17)16(14)18)20-4-3-10-5-15(22-2)19-8-11(10)9-20/h5-8H,3-4,9H2,1-2H3
InChIKeyHEEWUUAQAFGSTJ-UHFFFAOYSA-N
XLogP2.94
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine (CID 121456143) is 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine is COc1cc2c(cn1)CN(c1cc(F)c(F)c(OC)c1)CC2.
What is the InChIKey of 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is HEEWUUAQAFGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-21-14-7-12(6-13(17)16(14)18)20-4-3-10-5-15(22-2)19-8-11(10)9-20/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine?
2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 306.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-5-methoxyphenyl)-6-methoxy-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 121456143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).