6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one

C23H13ClFN3O — CID 137438348

IUPAC6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3F)nc2[nH]1
InChIInChI=1S/C23H13ClFN3O/c24-18-12-15(10-13-4-3-9-26-21(13)18)17-11-14-7-8-20(29)27-23(14)28-22(17)16-5-1-2-6-19(16)25/h1-12H,(H,27,28,29)
InChIKeyJDECYMQNABHGGQ-UHFFFAOYSA-N
MW401.83 g/mol
LogP5.60
Rot. Bonds2

About 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438348) has the molecular formula C23H13ClFN3O and a molecular weight of 401.83 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one
PubChem CID137438348
Molecular FormulaC23H13ClFN3O
Molecular Weight401.83 g/mol
Exact Mass401.07
IUPAC Name6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3F)nc2[nH]1
InChIInChI=1S/C23H13ClFN3O/c24-18-12-15(10-13-4-3-9-26-21(13)18)17-11-14-7-8-20(29)27-23(14)28-22(17)16-5-1-2-6-19(16)25/h1-12H,(H,27,28,29)
InChIKeyJDECYMQNABHGGQ-UHFFFAOYSA-N
XLogP5.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one (CID 137438348) is 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one is O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3F)nc2[nH]1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is JDECYMQNABHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClFN3O/c24-18-12-15(10-13-4-3-9-26-21(13)18)17-11-14-7-8-20(29)27-23(14)28-22(17)16-5-1-2-6-19(16)25/h1-12H,(H,27,28,29).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 401.83 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).