6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one

C22H13ClN4O2 — CID 137438012

IUPAC6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2[nH]1
InChIInChI=1S/C22H13ClN4O2/c23-17-12-15(10-13-4-3-8-24-20(13)17)16-11-14-6-7-18(28)25-21(14)26-22(16)27-9-2-1-5-19(27)29/h1-12H,(H,25,26,28)
InChIKeyVIELLKHSJBCHQY-UHFFFAOYSA-N
MW400.83 g/mol
LogP3.94
Rot. Bonds2

About 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one (PubChem CID 137438012) has the molecular formula C22H13ClN4O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
PubChem CID137438012
Molecular FormulaC22H13ClN4O2
Molecular Weight400.83 g/mol
Exact Mass400.07
IUPAC Name6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2[nH]1
InChIInChI=1S/C22H13ClN4O2/c23-17-12-15(10-13-4-3-8-24-20(13)17)16-11-14-6-7-18(28)25-21(14)26-22(16)27-9-2-1-5-19(27)29/h1-12H,(H,25,26,28)
InChIKeyVIELLKHSJBCHQY-UHFFFAOYSA-N
XLogP3.94
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one
CID 137438039
8-chloro-2-(8-chloroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656598
6-(8-chloroquinolin-6-yl)-5-(methylaminomethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438503
2-(8-chloroquinolin-6-yl)-8-ethyl-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656495
[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl] 2-(1-methylpyrrol-2-yl)acetate
CID 137438648
2-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]acetonitrile
CID 137438615
6-(8-chloroquinolin-6-yl)-5-(methylsulfanylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438467
6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137439010
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438171
6-(8-chloroquinolin-6-yl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438658
6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438652
1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]-3-methylpyridin-2-one
CID 137431429

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one (CID 137438012) is 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one is O=c1ccc2cc(-c3cc(Cl)c4ncccc4c3)c(-n3ccccc3=O)nc2[nH]1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is VIELLKHSJBCHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN4O2/c23-17-12-15(10-13-4-3-8-24-20(13)17)16-11-14-6-7-18(28)25-21(14)26-22(16)27-9-2-1-5-19(27)29/h1-12H,(H,25,26,28).
What are the key properties of 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one?
6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 400.83 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).