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

C20H20F3N5O2 — CID 58094024

IUPAC8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)12-25-16-11-13-5-6-24-19(29)17(13)18(27-16)26-14-1-3-15(4-2-14)28-7-9-30-10-8-28/h1-6,11H,7-10,12H2,(H,24,29)(H2,25,26,27)
InChIKeyUUZYNIGCPVQAHP-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.48
Rot. Bonds5

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

8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094024) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
PubChem CID58094024
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)12-25-16-11-13-5-6-24-19(29)17(13)18(27-16)26-14-1-3-15(4-2-14)28-7-9-30-10-8-28/h1-6,11H,7-10,12H2,(H,24,29)(H2,25,26,27)
InChIKeyUUZYNIGCPVQAHP-UHFFFAOYSA-N
XLogP3.48
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one (CID 58094024) is 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is UUZYNIGCPVQAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)12-25-16-11-13-5-6-24-19(29)17(13)18(27-16)26-14-1-3-15(4-2-14)28-7-9-30-10-8-28/h1-6,11H,7-10,12H2,(H,24,29)(H2,25,26,27).
What are the key properties of 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one?
8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 419.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).