2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol

C21H16ClFN4O2 — CID 53371534

IUPAC2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol
SMILESOCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C21H16ClFN4O2/c22-13-3-4-16(23)15(10-13)19-11-18(14-2-1-6-25-21(14)27-19)26-17-5-7-24-12-20(17)29-9-8-28/h1-7,10-12,28H,8-9H2,(H,24,25,26,27)
InChIKeyPBOZXLDIBYADRE-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.60
Rot. Bonds6

About 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol

2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol (PubChem CID 53371534) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol
PubChem CID53371534
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol
SMILESOCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C21H16ClFN4O2/c22-13-3-4-16(23)15(10-13)19-11-18(14-2-1-6-25-21(14)27-19)26-17-5-7-24-12-20(17)29-9-8-28/h1-7,10-12,28H,8-9H2,(H,24,25,26,27)
InChIKeyPBOZXLDIBYADRE-UHFFFAOYSA-N
XLogP4.60
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol (CID 53371534) is 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol is OCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol?
The InChIKey is PBOZXLDIBYADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c22-13-3-4-16(23)15(10-13)19-11-18(14-2-1-6-25-21(14)27-19)26-17-5-7-24-12-20(17)29-9-8-28/h1-7,10-12,28H,8-9H2,(H,24,25,26,27).
What are the key properties of 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol?
2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol has a molecular weight of 410.84 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol is sourced from PubChem (CID 53371534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).