6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

C21H13ClFN5O — CID 137438519

IUPAC6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(F)c3c2)n1
InChIInChI=1S/C21H13ClFN5O/c1-28-7-4-17(27-28)20-12(10-14-18(29)3-6-25-21(14)26-20)11-8-13-16(23)2-5-24-19(13)15(22)9-11/h2-10H,1H3,(H,25,26,29)
InChIKeyXPJXQJVLLKVLED-UHFFFAOYSA-N
MW405.82 g/mol
LogP4.33
Rot. Bonds2

About 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one

6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438519) has the molecular formula C21H13ClFN5O and a molecular weight of 405.82 g/mol. Its IUPAC name is 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438519
Molecular FormulaC21H13ClFN5O
Molecular Weight405.82 g/mol
Exact Mass405.08
IUPAC Name6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one
SMILESCn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(F)c3c2)n1
InChIInChI=1S/C21H13ClFN5O/c1-28-7-4-17(27-28)20-12(10-14-18(29)3-6-25-21(14)26-20)11-8-13-16(23)2-5-24-19(13)15(22)9-11/h2-10H,1H3,(H,25,26,29)
InChIKeyXPJXQJVLLKVLED-UHFFFAOYSA-N
XLogP4.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one (CID 137438519) is 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3nccc(F)c3c2)n1.
What is the InChIKey of 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is XPJXQJVLLKVLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN5O/c1-28-7-4-17(27-28)20-12(10-14-18(29)3-6-25-21(14)26-20)11-8-13-16(23)2-5-24-19(13)15(22)9-11/h2-10H,1H3,(H,25,26,29).
What are the key properties of 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 405.82 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloro-4-fluoroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).