1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one

C26H24F3N3O2 — CID 155347593

IUPAC1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(-c4ccc(C5CC5)cc4)c2=O)NC(NCC(F)(F)F)C=C3)cc1
InChIInChI=1S/C26H24F3N3O2/c1-34-21-11-6-18(7-12-21)22-14-19-8-13-23(30-15-26(27,28)29)31-24(19)32(25(22)33)20-9-4-17(5-10-20)16-2-3-16/h4-14,16,23,30-31H,2-3,15H2,1H3
InChIKeySQLUXYKIKPNPIR-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.31
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one

1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one (PubChem CID 155347593) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one
PubChem CID155347593
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one
SMILESCOc1ccc(-c2cc3c(n(-c4ccc(C5CC5)cc4)c2=O)NC(NCC(F)(F)F)C=C3)cc1
InChIInChI=1S/C26H24F3N3O2/c1-34-21-11-6-18(7-12-21)22-14-19-8-13-23(30-15-26(27,28)29)31-24(19)32(25(22)33)20-9-4-17(5-10-20)16-2-3-16/h4-14,16,23,30-31H,2-3,15H2,1H3
InChIKeySQLUXYKIKPNPIR-UHFFFAOYSA-N
XLogP5.31
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one (CID 155347593) is 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one is COc1ccc(-c2cc3c(n(-c4ccc(C5CC5)cc4)c2=O)NC(NCC(F)(F)F)C=C3)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one?
The InChIKey is SQLUXYKIKPNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-34-21-11-6-18(7-12-21)22-14-19-8-13-23(30-15-26(27,28)29)31-24(19)32(25(22)33)20-9-4-17(5-10-20)16-2-3-16/h4-14,16,23,30-31H,2-3,15H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one?
1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one has a molecular weight of 467.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-7,8-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).