6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one

C26H16ClN5O — CID 137438313

IUPAC6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one
SMILESO=c1c(-c2ccn[nH]2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C26H16ClN5O/c27-21-12-17(11-16-7-4-9-28-24(16)21)18-13-19-25(33)20(22-8-10-30-32-22)14-29-26(19)31-23(18)15-5-2-1-3-6-15/h1-14H,(H,30,32)(H,29,31,33)
InChIKeyUWAWHFLMRIPRFM-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-4-one

6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438313) 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-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438313
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-4-one
SMILESO=c1c(-c2ccn[nH]2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C26H16ClN5O/c27-21-12-17(11-16-7-4-9-28-24(16)21)18-13-19-25(33)20(22-8-10-30-32-22)14-29-26(19)31-23(18)15-5-2-1-3-6-15/h1-14H,(H,30,32)(H,29,31,33)
InChIKeyUWAWHFLMRIPRFM-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

Analyze 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
CID 137438341
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
2-(8-chloroquinolin-6-yl)-7-ethylsulfinyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656926
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137423219
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
2-(8-chloroquinolin-6-yl)-6-ethenyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657636
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438945

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-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one (CID 137438313) is 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one is O=c1c(-c2ccn[nH]2)c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is UWAWHFLMRIPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClN5O/c27-21-12-17(11-16-7-4-9-28-24(16)21)18-13-19-25(33)20(22-8-10-30-32-22)14-29-26(19)31-23(18)15-5-2-1-3-6-15/h1-14H,(H,30,32)(H,29,31,33).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-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-4-one is sourced from PubChem (CID 137438313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).