7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one

C17H17FN4O — CID 69038373

IUPAC7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(N)c(F)cc2C)cc2cnc(N)cc21
InChIInChI=1S/C17H17FN4O/c1-3-22-15-7-16(20)21-8-10(15)5-12(17(22)23)11-6-14(19)13(18)4-9(11)2/h4-8H,3,19H2,1-2H3,(H2,20,21)
InChIKeyNQVQYYNZRSLXCD-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.70
Rot. Bonds2

About 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one

7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one (PubChem CID 69038373) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one
PubChem CID69038373
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(N)c(F)cc2C)cc2cnc(N)cc21
InChIInChI=1S/C17H17FN4O/c1-3-22-15-7-16(20)21-8-10(15)5-12(17(22)23)11-6-14(19)13(18)4-9(11)2/h4-8H,3,19H2,1-2H3,(H2,20,21)
InChIKeyNQVQYYNZRSLXCD-UHFFFAOYSA-N
XLogP2.70
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.70
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-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one (CID 69038373) is 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2cc(N)c(F)cc2C)cc2cnc(N)cc21.
What is the InChIKey of 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one?
The InChIKey is NQVQYYNZRSLXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-3-22-15-7-16(20)21-8-10(15)5-12(17(22)23)11-6-14(19)13(18)4-9(11)2/h4-8H,3,19H2,1-2H3,(H2,20,21).
What are the key properties of 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one?
7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one has a molecular weight of 312.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(5-amino-4-fluoro-2-methylphenyl)-1-ethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 69038373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).