7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one

C16H15FN4O — CID 69035893

IUPAC7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccc(F)c(N)c2)cc2cnc(N)cc21
InChIInChI=1S/C16H15FN4O/c1-2-21-14-7-15(19)20-8-10(14)5-11(16(21)22)9-3-4-12(17)13(18)6-9/h3-8H,2,18H2,1H3,(H2,19,20)
InChIKeyBLYGDMJPAXRNIR-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.39
Rot. Bonds2

About 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one

7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one (PubChem CID 69035893) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
PubChem CID69035893
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccc(F)c(N)c2)cc2cnc(N)cc21
InChIInChI=1S/C16H15FN4O/c1-2-21-14-7-15(19)20-8-10(14)5-11(16(21)22)9-3-4-12(17)13(18)6-9/h3-8H,2,18H2,1H3,(H2,19,20)
InChIKeyBLYGDMJPAXRNIR-UHFFFAOYSA-N
XLogP2.39
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one (CID 69035893) is 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccc(F)c(N)c2)cc2cnc(N)cc21.
What is the InChIKey of 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one?
The InChIKey is BLYGDMJPAXRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-2-21-14-7-15(19)20-8-10(14)5-11(16(21)22)9-3-4-12(17)13(18)6-9/h3-8H,2,18H2,1H3,(H2,19,20).
What are the key properties of 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one?
7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one has a molecular weight of 298.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(3-amino-4-fluorophenyl)-1-ethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 69035893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).