2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C25H23F3N4O — CID 10182514

IUPAC2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCN(CC)c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H23F3N4O/c1-3-31(4-2)21-15-19(25(26,27)28)23-20(33)16-22(29-17-11-7-5-8-12-17)32(24(23)30-21)18-13-9-6-10-14-18/h5-16,29H,3-4H2,1-2H3
InChIKeyGAHQTEMDQRDSIP-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.99
Rot. Bonds6

About 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10182514) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10182514
Molecular FormulaC25H23F3N4O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC Name2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCN(CC)c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H23F3N4O/c1-3-31(4-2)21-15-19(25(26,27)28)23-20(33)16-22(29-17-11-7-5-8-12-17)32(24(23)30-21)18-13-9-6-10-14-18/h5-16,29H,3-4H2,1-2H3
InChIKeyGAHQTEMDQRDSIP-UHFFFAOYSA-N
XLogP5.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10182514) is 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CCN(CC)c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is GAHQTEMDQRDSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O/c1-3-31(4-2)21-15-19(25(26,27)28)23-20(33)16-22(29-17-11-7-5-8-12-17)32(24(23)30-21)18-13-9-6-10-14-18/h5-16,29H,3-4H2,1-2H3.
What are the key properties of 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 452.48 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10182514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).