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

C19H19FN2O2 — CID 91917926

IUPAC[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(OCC3CC3)ccc2C1
InChIInChI=1S/C19H19FN2O2/c20-16-6-3-14(4-7-16)19(23)22-10-9-17-15(11-22)5-8-18(21-17)24-12-13-1-2-13/h3-8,13H,1-2,9-12H2
InChIKeySAABXKTWFSSVEG-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.21
Rot. Bonds4

About [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone

[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone (PubChem CID 91917926) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone
PubChem CID91917926
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(OCC3CC3)ccc2C1
InChIInChI=1S/C19H19FN2O2/c20-16-6-3-14(4-7-16)19(23)22-10-9-17-15(11-22)5-8-18(21-17)24-12-13-1-2-13/h3-8,13H,1-2,9-12H2
InChIKeySAABXKTWFSSVEG-UHFFFAOYSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone (CID 91917926) is [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCc2nc(OCC3CC3)ccc2C1.
What is the InChIKey of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone?
The InChIKey is SAABXKTWFSSVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-6-3-14(4-7-16)19(23)22-10-9-17-15(11-22)5-8-18(21-17)24-12-13-1-2-13/h3-8,13H,1-2,9-12H2.
What are the key properties of [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone?
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone has a molecular weight of 326.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 91917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).