3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C28H18N4O2 — CID 137438036

IUPAC3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1cccc(-c2cc3cc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)[nH]1
InChIInChI=1S/C28H18N4O2/c33-25-10-4-9-24(30-25)22-16-20-15-21(18-11-12-23-19(14-18)8-5-13-29-23)26(17-6-2-1-3-7-17)31-27(20)32-28(22)34/h1-16H,(H,30,33)(H,31,32,34)
InChIKeyGNKKZHUCXXLWBS-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.16
Rot. Bonds3

About 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438036) has the molecular formula C28H18N4O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438036
Molecular FormulaC28H18N4O2
Molecular Weight442.48 g/mol
Exact Mass442.14
IUPAC Name3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1cccc(-c2cc3cc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)[nH]1
InChIInChI=1S/C28H18N4O2/c33-25-10-4-9-24(30-25)22-16-20-15-21(18-11-12-23-19(14-18)8-5-13-29-23)26(17-6-2-1-3-7-17)31-27(20)32-28(22)34/h1-16H,(H,30,33)(H,31,32,34)
InChIKeyGNKKZHUCXXLWBS-UHFFFAOYSA-N
XLogP5.16
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438036) is 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is O=c1cccc(-c2cc3cc(-c4ccc5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)[nH]1.
What is the InChIKey of 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is GNKKZHUCXXLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2/c33-25-10-4-9-24(30-25)22-16-20-15-21(18-11-12-23-19(14-18)8-5-13-29-23)26(17-6-2-1-3-7-17)31-27(20)32-28(22)34/h1-16H,(H,30,33)(H,31,32,34).
What are the key properties of 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 442.48 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridin-2-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).