6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one

C26H16ClN5O — CID 137438614

IUPAC6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1-c1ccn[nH]1
InChIInChI=1S/C26H16ClN5O/c27-21-14-17(11-16-7-4-9-28-24(16)21)19-12-18-13-20(22-8-10-29-32-22)26(33)31-25(18)30-23(19)15-5-2-1-3-6-15/h1-14H,(H,29,32)(H,30,31,33)
InChIKeyJJQHWLWUAXWYNN-UHFFFAOYSA-N
MW449.90 g/mol
LogP5.85
Rot. Bonds3

About 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438614) has the molecular formula C26H16ClN5O and a molecular weight of 449.90 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one
PubChem CID137438614
Molecular FormulaC26H16ClN5O
Molecular Weight449.90 g/mol
Exact Mass449.10
IUPAC Name6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1-c1ccn[nH]1
InChIInChI=1S/C26H16ClN5O/c27-21-14-17(11-16-7-4-9-28-24(16)21)19-12-18-13-20(22-8-10-29-32-22)26(33)31-25(18)30-23(19)15-5-2-1-3-6-15/h1-14H,(H,29,32)(H,30,31,33)
InChIKeyJJQHWLWUAXWYNN-UHFFFAOYSA-N
XLogP5.85
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.90
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one (CID 137438614) is 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1-c1ccn[nH]1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is JJQHWLWUAXWYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClN5O/c27-21-14-17(11-16-7-4-9-28-24(16)21)19-12-18-13-20(22-8-10-29-32-22)26(33)31-25(18)30-23(19)15-5-2-1-3-6-15/h1-14H,(H,29,32)(H,30,31,33).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 449.90 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).