5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one

C20H16N2O — CID 5468909

IUPAC5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1
InChIInChI=1S/C20H16N2O/c1-12-9-13(2)21-20-19(12)18(23)11-17(22-20)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,21,22,23)
InChIKeyBIJWLTRMYLRXEA-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.36
Rot. Bonds1

About 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one

5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one (PubChem CID 5468909) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one
PubChem CID5468909
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1
InChIInChI=1S/C20H16N2O/c1-12-9-13(2)21-20-19(12)18(23)11-17(22-20)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,21,22,23)
InChIKeyBIJWLTRMYLRXEA-UHFFFAOYSA-N
XLogP4.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one (CID 5468909) is 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one is Cc1cc(C)c2c(=O)cc(-c3ccc4ccccc4c3)[nH]c2n1.
What is the InChIKey of 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is BIJWLTRMYLRXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-12-9-13(2)21-20-19(12)18(23)11-17(22-20)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one?
5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 300.36 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-naphthalen-2-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).