6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one

C22H13ClN4O — CID 137438341

IUPAC6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3cccnc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C22H13ClN4O/c23-18-10-15(9-13-3-2-7-25-21(13)18)16-11-17-19(28)5-8-26-22(17)27-20(16)14-4-1-6-24-12-14/h1-12H,(H,26,27,28)
InChIKeyCUQIUEXKCXENRH-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.85
Rot. Bonds2

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

6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438341) has the molecular formula C22H13ClN4O and a molecular weight of 384.83 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438341
Molecular FormulaC22H13ClN4O
Molecular Weight384.83 g/mol
Exact Mass384.08
IUPAC Name6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3cccnc3)c(-c3cc(Cl)c4ncccc4c3)cc12
InChIInChI=1S/C22H13ClN4O/c23-18-10-15(9-13-3-2-7-25-21(13)18)16-11-17-19(28)5-8-26-22(17)27-20(16)14-4-1-6-24-12-14/h1-12H,(H,26,27,28)
InChIKeyCUQIUEXKCXENRH-UHFFFAOYSA-N
XLogP4.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-7-phenyl-2,3-didehydro-1H-1,8-naphthyridin-4-one
CID 155170939
6-(8-chloroquinolin-6-yl)-7-phenyl-3-(1H-pyrazol-5-yl)-1H-1,8-naphthyridin-4-one
CID 137438313
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
6-(8-chloroquinolin-6-yl)-5-(1-methylazetidin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438550
3-(8-chloroquinolin-6-yl)-N-methyl-5-oxo-2-phenyl-8H-1,8-naphthyridine-4-carboxamide
CID 137438905
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
6-(8-fluoro-4-methylquinolin-6-yl)-7-pyridin-4-yl-1H-1,8-naphthyridin-4-one
CID 137438169
N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide
CID 154604954
6-imidazo[1,2-a]pyridin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
CID 154604829

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one (CID 137438341) is 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3cccnc3)c(-c3cc(Cl)c4ncccc4c3)cc12.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is CUQIUEXKCXENRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN4O/c23-18-10-15(9-13-3-2-7-25-21(13)18)16-11-17-19(28)5-8-26-22(17)27-20(16)14-4-1-6-24-12-14/h1-12H,(H,26,27,28).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one?
6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 384.83 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).