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

C24H20F3N3O3 — CID 20790642

IUPAC2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCOCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H20F3N3O3/c1-32-12-13-33-21-14-18(24(25,26)27)22-19(31)15-20(28-16-8-4-2-5-9-16)30(23(22)29-21)17-10-6-3-7-11-17/h2-11,14-15,28H,12-13H2,1H3
InChIKeyJDQDAQSBEWGODM-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.17
Rot. Bonds7

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

2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790642) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790642
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCOCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H20F3N3O3/c1-32-12-13-33-21-14-18(24(25,26)27)22-19(31)15-20(28-16-8-4-2-5-9-16)30(23(22)29-21)17-10-6-3-7-11-17/h2-11,14-15,28H,12-13H2,1H3
InChIKeyJDQDAQSBEWGODM-UHFFFAOYSA-N
XLogP5.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-Methoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10264202
7-Phenoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10663067
7-Ethoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10706862
7-Ethoxy-1-ethyl-2-phenyl-1H-[1,8]naphthyridin-4-one
CID 11266371
2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468703
N-cyclohexyl-7-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086887
N-(6-anilino-2-pyridinyl)-4-propoxybenzamide
CID 71727898
N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727899
N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727900
N-[6-(4-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727901
2-Anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4(1h)-one
CID 10113164
2-Anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10114892

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790642) is 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is COCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is JDQDAQSBEWGODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-32-12-13-33-21-14-18(24(25,26)27)22-19(31)15-20(28-16-8-4-2-5-9-16)30(23(22)29-21)17-10-6-3-7-11-17/h2-11,14-15,28H,12-13H2,1H3.
What are the key properties of 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 455.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).