6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one

C23H12ClN3O — CID 155170939

IUPAC6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
SMILESO=c1c#c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C23H12ClN3O/c24-19-12-16(11-15-7-4-9-25-22(15)19)17-13-18-20(28)8-10-26-23(18)27-21(17)14-5-2-1-3-6-14/h1-7,9,11-13H,(H,26,27)
InChIKeyORKJVJGLJMBNPZ-UHFFFAOYSA-N
MW381.82 g/mol
LogP5.06
Rot. Bonds2

About 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one

6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one (PubChem CID 155170939) has the molecular formula C23H12ClN3O and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
PubChem CID155170939
Molecular FormulaC23H12ClN3O
Molecular Weight381.82 g/mol
Exact Mass381.07
IUPAC Name6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
SMILESO=c1c#c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C23H12ClN3O/c24-19-12-16(11-15-7-4-9-25-22(15)19)17-13-18-20(28)8-10-26-23(18)27-21(17)14-5-2-1-3-6-14/h1-7,9,11-13H,(H,26,27)
InChIKeyORKJVJGLJMBNPZ-UHFFFAOYSA-N
XLogP5.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.82
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
CID 137438341
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one
CID 137438313
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
7-bromo-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656457
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
3-[3-(benzenesulfonyl)-2-oxopropyl]-6-(8-chloroquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 161103358
4-[2-[6-(8-chloroquinolin-6-yl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-2-oxoethyl]sulfinylbenzonitrile
CID 158425052
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
6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
N-[[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]methyl]-6-methylpyridine-3-sulfonamide
CID 137439050

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one (CID 155170939) is 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one is O=c1c#c[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc12.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
The InChIKey is ORKJVJGLJMBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClN3O/c24-19-12-16(11-15-7-4-9-25-22(15)19)17-13-18-20(28)8-10-26-23(18)27-21(17)14-5-2-1-3-6-14/h1-7,9,11-13H,(H,26,27).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one has a molecular weight of 381.82 g/mol, XLogP of 5.06, 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-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).