8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one

C16H11ClF3N3O — CID 139551850

IUPAC8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
SMILESO=c1[nH]cc2ccc(NCC(F)(F)F)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3O/c17-11-4-1-9(2-5-11)13-14-10(7-21-15(13)24)3-6-12(23-14)22-8-16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKeyHZBQVYIAYOFJQS-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.22
Rot. Bonds3

About 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one

8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one (PubChem CID 139551850) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
PubChem CID139551850
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
SMILESO=c1[nH]cc2ccc(NCC(F)(F)F)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3N3O/c17-11-4-1-9(2-5-11)13-14-10(7-21-15(13)24)3-6-12(23-14)22-8-16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKeyHZBQVYIAYOFJQS-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one (CID 139551850) is 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one is O=c1[nH]cc2ccc(NCC(F)(F)F)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
The InChIKey is HZBQVYIAYOFJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-11-4-1-9(2-5-11)13-14-10(7-21-15(13)24)3-6-12(23-14)22-8-16(18,19)20/h1-7H,8H2,(H,21,24)(H,22,23).
What are the key properties of 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one has a molecular weight of 353.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 139551850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).