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

C22H18FN3O — CID 69296236

IUPAC3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one
SMILESCc1cc(F)c(N)cc1-c1cc2cnc(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C22H18FN3O/c1-13-8-18(23)19(24)10-16(13)17-9-15-12-25-20(14-6-4-3-5-7-14)11-21(15)26(2)22(17)27/h3-12H,24H2,1-2H3
InChIKeyRBKXRSKEPPPDPS-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.30
Rot. Bonds2

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

3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one (PubChem CID 69296236) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one
PubChem CID69296236
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one
SMILESCc1cc(F)c(N)cc1-c1cc2cnc(-c3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C22H18FN3O/c1-13-8-18(23)19(24)10-16(13)17-9-15-12-25-20(14-6-4-3-5-7-14)11-21(15)26(2)22(17)27/h3-12H,24H2,1-2H3
InChIKeyRBKXRSKEPPPDPS-UHFFFAOYSA-N
XLogP4.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one (CID 69296236) is 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one is Cc1cc(F)c(N)cc1-c1cc2cnc(-c3ccccc3)cc2n(C)c1=O.
What is the InChIKey of 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one?
The InChIKey is RBKXRSKEPPPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-13-8-18(23)19(24)10-16(13)17-9-15-12-25-20(14-6-4-3-5-7-14)11-21(15)26(2)22(17)27/h3-12H,24H2,1-2H3.
What are the key properties of 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one?
3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one has a molecular weight of 359.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 69296236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).