4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline

C18H10F6N4 — CID 165175638

IUPAC4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline
SMILESNc1ccc(-c2cnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n23)cc1
InChIInChI=1S/C18H10F6N4/c19-17(20,21)12-7-14(18(22,23)24)27-16-11(12)5-6-15-26-8-13(28(15)16)9-1-3-10(25)4-2-9/h1-8H,25H2
InChIKeyUUDJSIVTURUUDU-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.17
Rot. Bonds1

About 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline

4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline (PubChem CID 165175638) has the molecular formula C18H10F6N4 and a molecular weight of 396.29 g/mol. Its IUPAC name is 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline.

Molecular Properties

Compound Name4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline
PubChem CID165175638
Molecular FormulaC18H10F6N4
Molecular Weight396.29 g/mol
Exact Mass396.08
IUPAC Name4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline
SMILESNc1ccc(-c2cnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n23)cc1
InChIInChI=1S/C18H10F6N4/c19-17(20,21)12-7-14(18(22,23)24)27-16-11(12)5-6-15-26-8-13(28(15)16)9-1-3-10(25)4-2-9/h1-8H,25H2
InChIKeyUUDJSIVTURUUDU-UHFFFAOYSA-N
XLogP5.17
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline?
The IUPAC name of 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline (CID 165175638) is 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline.
What is the SMILES notation for 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline?
The canonical SMILES for 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline is Nc1ccc(-c2cnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n23)cc1.
What is the InChIKey of 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline?
The InChIKey is UUDJSIVTURUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4/c19-17(20,21)12-7-14(18(22,23)24)27-16-11(12)5-6-15-26-8-13(28(15)16)9-1-3-10(25)4-2-9/h1-8H,25H2.
What are the key properties of 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline?
4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline has a molecular weight of 396.29 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-9-yl]aniline is sourced from PubChem (CID 165175638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).