(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C22H19FN2O2 — CID 57412058

IUPAC(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESC1CN(CC2=C1N=CC(=C2)COC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-16(13-24-21)15-27-20-4-2-1-3-5-20/h1-9,12-13H,10-11,14-15H2
InChIKeyUDNFTGPNINXXKJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.40
Rot. Bonds4

About (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 57412058) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID57412058
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESC1CN(CC2=C1N=CC(=C2)COC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F
InChIInChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-16(13-24-21)15-27-20-4-2-1-3-5-20/h1-9,12-13H,10-11,14-15H2
InChIKeyUDNFTGPNINXXKJ-UHFFFAOYSA-N
XLogP3.40
TPSA42.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity489

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 57412058) is (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is C1CN(CC2=C1N=CC(=C2)COC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F.
What is the InChIKey of (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is UDNFTGPNINXXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-16(13-24-21)15-27-20-4-2-1-3-5-20/h1-9,12-13H,10-11,14-15H2.
What are the key properties of (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 362.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 57412058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).