4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one

C17H16FN3O3 — CID 154877303

IUPAC4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one
SMILESO=c1cc(NCC(O)COc2cccc(F)c2)c2cccnc2[nH]1
InChIInChI=1S/C17H16FN3O3/c18-11-3-1-4-13(7-11)24-10-12(22)9-20-15-8-16(23)21-17-14(15)5-2-6-19-17/h1-8,12,22H,9-10H2,(H2,19,20,21,23)
InChIKeyPDZHSGCWPFNLBI-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.91
Rot. Bonds6

About 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one

4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one (PubChem CID 154877303) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one
PubChem CID154877303
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one
SMILESO=c1cc(NCC(O)COc2cccc(F)c2)c2cccnc2[nH]1
InChIInChI=1S/C17H16FN3O3/c18-11-3-1-4-13(7-11)24-10-12(22)9-20-15-8-16(23)21-17-14(15)5-2-6-19-17/h1-8,12,22H,9-10H2,(H2,19,20,21,23)
InChIKeyPDZHSGCWPFNLBI-UHFFFAOYSA-N
XLogP1.91
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94031147
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CID 60899861
1-(4-fluorophenoxy)-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
CID 133272703
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one (CID 154877303) is 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one is O=c1cc(NCC(O)COc2cccc(F)c2)c2cccnc2[nH]1.
What is the InChIKey of 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one?
The InChIKey is PDZHSGCWPFNLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-11-3-1-4-13(7-11)24-10-12(22)9-20-15-8-16(23)21-17-14(15)5-2-6-19-17/h1-8,12,22H,9-10H2,(H2,19,20,21,23).
What are the key properties of 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one?
4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one has a molecular weight of 329.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 154877303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).