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

C22H19FN2O2 — CID 90645516

IUPAC(4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2ncc(OCc3ccccc3)cc2C1
InChIInChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-20(13-24-21)27-15-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChIKeyMTDZTBMSXYRUPM-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.00
Rot. Bonds4

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

(4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 90645516) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID90645516
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name(4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2ncc(OCc3ccccc3)cc2C1
InChIInChI=1S/C22H19FN2O2/c23-19-8-6-17(7-9-19)22(26)25-11-10-21-18(14-25)12-20(13-24-21)27-15-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChIKeyMTDZTBMSXYRUPM-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 90645516) is (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1ccc(F)cc1)N1CCc2ncc(OCc3ccccc3)cc2C1.
What is the InChIKey of (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is MTDZTBMSXYRUPM-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)12-20(13-24-21)27-15-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2.
What are the key properties of (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 362.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-phenylmethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 90645516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).