3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one

C26H26F2N4O2 — CID 118501350

IUPAC3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(N)c(F)cc2F)cc2cnc(N(C)C(C)c3ccc(OC)cc3)cc21
InChIInChI=1S/C26H26F2N4O2/c1-5-32-24-13-25(31(3)15(2)16-6-8-18(34-4)9-7-16)30-14-17(24)10-20(26(32)33)19-11-23(29)22(28)12-21(19)27/h6-15H,5,29H2,1-4H3
InChIKeyVYAHOOOPZUVLQW-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.15
Rot. Bonds6

About 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one

3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one (PubChem CID 118501350) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one
PubChem CID118501350
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2cc(N)c(F)cc2F)cc2cnc(N(C)C(C)c3ccc(OC)cc3)cc21
InChIInChI=1S/C26H26F2N4O2/c1-5-32-24-13-25(31(3)15(2)16-6-8-18(34-4)9-7-16)30-14-17(24)10-20(26(32)33)19-11-23(29)22(28)12-21(19)27/h6-15H,5,29H2,1-4H3
InChIKeyVYAHOOOPZUVLQW-UHFFFAOYSA-N
XLogP5.15
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one (CID 118501350) is 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2cc(N)c(F)cc2F)cc2cnc(N(C)C(C)c3ccc(OC)cc3)cc21.
What is the InChIKey of 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one?
The InChIKey is VYAHOOOPZUVLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-5-32-24-13-25(31(3)15(2)16-6-8-18(34-4)9-7-16)30-14-17(24)10-20(26(32)33)19-11-23(29)22(28)12-21(19)27/h6-15H,5,29H2,1-4H3.
What are the key properties of 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one?
3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one has a molecular weight of 464.52 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,4-difluorophenyl)-1-ethyl-7-[1-(4-methoxyphenyl)ethyl-methylamino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118501350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).