1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

C15H15FN2O — CID 172909122

IUPAC1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(n1Cc1cccc(F)c1)CCNC2
InChIInChI=1S/C15H15FN2O/c16-13-3-1-2-11(8-13)10-18-14-6-7-17-9-12(14)4-5-15(18)19/h1-5,8,17H,6-7,9-10H2
InChIKeyDGZFFQXIGNJYOB-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.68
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 172909122) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID172909122
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=c1ccc2c(n1Cc1cccc(F)c1)CCNC2
InChIInChI=1S/C15H15FN2O/c16-13-3-1-2-11(8-13)10-18-14-6-7-17-9-12(14)4-5-15(18)19/h1-5,8,17H,6-7,9-10H2
InChIKeyDGZFFQXIGNJYOB-UHFFFAOYSA-N
XLogP1.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 172909122) is 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is O=c1ccc2c(n1Cc1cccc(F)c1)CCNC2.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is DGZFFQXIGNJYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-3-1-2-11(8-13)10-18-14-6-7-17-9-12(14)4-5-15(18)19/h1-5,8,17H,6-7,9-10H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 258.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 172909122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).