4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

C24H16ClFN4O2 — CID 56592378

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCO
InChIInChI=1S/C24H16ClFN4O2/c25-14-3-4-21(26)18(10-14)22-11-17(16-2-1-6-28-23(16)29-22)20-13-30(8-9-31)24(32)19-12-27-7-5-15(19)20/h1-7,10-13,31H,8-9H2
InChIKeyXKABKPDKOWFEAO-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.46
Rot. Bonds4

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (PubChem CID 56592378) has the molecular formula C24H16ClFN4O2 and a molecular weight of 446.87 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
PubChem CID56592378
Molecular FormulaC24H16ClFN4O2
Molecular Weight446.87 g/mol
Exact Mass446.09
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCO
InChIInChI=1S/C24H16ClFN4O2/c25-14-3-4-21(26)18(10-14)22-11-17(16-2-1-6-28-23(16)29-22)20-13-30(8-9-31)24(32)19-12-27-7-5-15(19)20/h1-7,10-13,31H,8-9H2
InChIKeyXKABKPDKOWFEAO-UHFFFAOYSA-N
XLogP4.46
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one (CID 56592378) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCO.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
The InChIKey is XKABKPDKOWFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2/c25-14-3-4-21(26)18(10-14)22-11-17(16-2-1-6-28-23(16)29-22)20-13-30(8-9-31)24(32)19-12-27-7-5-15(19)20/h1-7,10-13,31H,8-9H2.
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one has a molecular weight of 446.87 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-hydroxyethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 56592378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).