7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one

C21H20FN3O3 — CID 146018703

IUPAC7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one
SMILESCCC(=O)N1CC[C@@H](C2=NC(=O)c3cc(-c4c(O)cccc4F)ncc3C2)C1
InChIInChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1
InChIKeyRWOYGQRZJZBHOJ-GFCCVEGCSA-N
MW381.41 g/mol
LogP2.99
Rot. Bonds3

About 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one

7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one (PubChem CID 146018703) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one
PubChem CID146018703
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one
SMILESCCC(=O)N1CC[C@@H](C2=NC(=O)c3cc(-c4c(O)cccc4F)ncc3C2)C1
InChIInChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1
InChIKeyRWOYGQRZJZBHOJ-GFCCVEGCSA-N
XLogP2.99
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one?
The IUPAC name of 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one (CID 146018703) is 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one.
What is the SMILES notation for 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one?
The canonical SMILES for 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one is CCC(=O)N1CC[C@@H](C2=NC(=O)c3cc(-c4c(O)cccc4F)ncc3C2)C1.
What is the InChIKey of 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one?
The InChIKey is RWOYGQRZJZBHOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1.
What are the key properties of 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one?
7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one has a molecular weight of 381.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-2,6-naphthyridin-1-one is sourced from PubChem (CID 146018703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).