6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one

C24H17N3O — CID 137423256

IUPAC6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12
InChIInChI=1S/C24H17N3O/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16/h2-14H,1H3,(H,26,27,28)
InChIKeyJFNNNJXPSOFTNR-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.11
Rot. Bonds2

About 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one

6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137423256) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137423256
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12
InChIInChI=1S/C24H17N3O/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16/h2-14H,1H3,(H,26,27,28)
InChIKeyJFNNNJXPSOFTNR-UHFFFAOYSA-N
XLogP5.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137423256) is 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12.
What is the InChIKey of 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is JFNNNJXPSOFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16/h2-14H,1H3,(H,26,27,28).
What are the key properties of 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 363.42 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137423256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).