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

C28H23ClFN5O2 — CID 56592466

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1
InChIInChI=1S/C28H23ClFN5O2/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24/h1-7,14-17H,8-13H2
InChIKeyDUPWIZVSVWQCLF-UHFFFAOYSA-N
MW515.98 g/mol
LogP4.80
Rot. Bonds5

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

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one (PubChem CID 56592466) has the molecular formula C28H23ClFN5O2 and a molecular weight of 515.98 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
PubChem CID56592466
Molecular FormulaC28H23ClFN5O2
Molecular Weight515.98 g/mol
Exact Mass515.15
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1
InChIInChI=1S/C28H23ClFN5O2/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24/h1-7,14-17H,8-13H2
InChIKeyDUPWIZVSVWQCLF-UHFFFAOYSA-N
XLogP4.80
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.98
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one (CID 56592466) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one is O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
The InChIKey is DUPWIZVSVWQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN5O2/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24/h1-7,14-17H,8-13H2.
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one has a molecular weight of 515.98 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-morpholin-4-ylethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 56592466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).