5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one

C18H16FN3O — CID 164563669

IUPAC5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccc(CNC4CC4)c(F)c3)ccnc2[nH]1
InChIInChI=1S/C18H16FN3O/c19-16-9-11(1-2-12(16)10-21-13-3-4-13)14-7-8-20-18-15(14)5-6-17(23)22-18/h1-2,5-9,13,21H,3-4,10H2,(H,20,22,23)
InChIKeyWHKBBDCBVIOXFP-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.98
Rot. Bonds4

About 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one

5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one (PubChem CID 164563669) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
PubChem CID164563669
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(-c3ccc(CNC4CC4)c(F)c3)ccnc2[nH]1
InChIInChI=1S/C18H16FN3O/c19-16-9-11(1-2-12(16)10-21-13-3-4-13)14-7-8-20-18-15(14)5-6-17(23)22-18/h1-2,5-9,13,21H,3-4,10H2,(H,20,22,23)
InChIKeyWHKBBDCBVIOXFP-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one (CID 164563669) is 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one is O=c1ccc2c(-c3ccc(CNC4CC4)c(F)c3)ccnc2[nH]1.
What is the InChIKey of 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one?
The InChIKey is WHKBBDCBVIOXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-9-11(1-2-12(16)10-21-13-3-4-13)14-7-8-20-18-15(14)5-6-17(23)22-18/h1-2,5-9,13,21H,3-4,10H2,(H,20,22,23).
What are the key properties of 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one?
5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one has a molecular weight of 309.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 164563669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).