7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C23H15N3O — CID 137423248

IUPAC7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H15N3O/c27-21-10-12-25-23-19(21)14-18(22(26-23)15-5-2-1-3-6-15)16-8-9-20-17(13-16)7-4-11-24-20/h1-14H,(H,25,26,27)
InChIKeyPLSWRCPHSIXWSP-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.81
Rot. Bonds2

About 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137423248) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137423248
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Name7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H15N3O/c27-21-10-12-25-23-19(21)14-18(22(26-23)15-5-2-1-3-6-15)16-8-9-20-17(13-16)7-4-11-24-20/h1-14H,(H,25,26,27)
InChIKeyPLSWRCPHSIXWSP-UHFFFAOYSA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137423219
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
4-oxo-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)cinnolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carbonitrile
CID 155170926
2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
6-imidazo[1,2-a]pyridin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
CID 154604829
6-(8-chloroquinolin-6-yl)-7-pyridin-3-yl-1H-1,8-naphthyridin-4-one
CID 137438341
6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-quinoxalin-6-yl-1H-1,8-naphthyridin-4-one;quinoxalin-6-ylboronic acid
CID 160887626
5-methyl-6-[3-[3-(7-methyl-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]quinolin-6-yl]-7-phenyl-1H-1,8-naphthyridin-4-one
CID 155170905

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137423248) is 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is PLSWRCPHSIXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O/c27-21-10-12-25-23-19(21)14-18(22(26-23)15-5-2-1-3-6-15)16-8-9-20-17(13-16)7-4-11-24-20/h1-14H,(H,25,26,27).
What are the key properties of 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 349.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137423248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).