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

C19H14N2O — CID 5468780

IUPAC7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3cccc4ccccc34)[nH]c2n1
InChIInChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
InChIKeyOKZRVQQAEAXGHY-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.05
Rot. Bonds1

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

7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one (PubChem CID 5468780) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one
PubChem CID5468780
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3cccc4ccccc34)[nH]c2n1
InChIInChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
InChIKeyOKZRVQQAEAXGHY-UHFFFAOYSA-N
XLogP4.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one (CID 5468780) is 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(-c3cccc4ccccc34)[nH]c2n1.
What is the InChIKey of 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is OKZRVQQAEAXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22).
What are the key properties of 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one?
7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 286.33 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).