3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one

C24H23FN2O4 — CID 71225895

IUPAC3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(COc2nc3c(cc2F)C(=O)N(Cc2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C24H23FN2O4/c1-29-18-7-3-16(4-8-18)14-27-12-11-22-20(24(27)28)13-21(25)23(26-22)31-15-17-5-9-19(30-2)10-6-17/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyANGWJNBGVJVYJY-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.02
Rot. Bonds7

About 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one

3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 71225895) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID71225895
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(COc2nc3c(cc2F)C(=O)N(Cc2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C24H23FN2O4/c1-29-18-7-3-16(4-8-18)14-27-12-11-22-20(24(27)28)13-21(25)23(26-22)31-15-17-5-9-19(30-2)10-6-17/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyANGWJNBGVJVYJY-UHFFFAOYSA-N
XLogP4.02
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 71225895) is 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is COc1ccc(COc2nc3c(cc2F)C(=O)N(Cc2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is ANGWJNBGVJVYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-29-18-7-3-16(4-8-18)14-27-12-11-22-20(24(27)28)13-21(25)23(26-22)31-15-17-5-9-19(30-2)10-6-17/h3-10,13H,11-12,14-15H2,1-2H3.
What are the key properties of 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 422.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 71225895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).