5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one

C17H16N2O — CID 10849224

IUPAC5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)cc1
InChIInChI=1S/C17H16N2O/c1-10-4-6-13(7-5-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJMIJQUSJCPEKAN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.52
Rot. Bonds1

About 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one

5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one (PubChem CID 10849224) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one
PubChem CID10849224
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)cc1
InChIInChI=1S/C17H16N2O/c1-10-4-6-13(7-5-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyJMIJQUSJCPEKAN-UHFFFAOYSA-N
XLogP3.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
CID 6105572
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
7-Bromo-2-phenyl-1,8-naphthyridin-4-ol
CID 10402581
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
CID 94005
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one (CID 10849224) is 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2cc(=O)c3c(C)cc(C)nc3[nH]2)cc1.
What is the InChIKey of 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one?
The InChIKey is JMIJQUSJCPEKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10-4-6-13(7-5-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one?
5,7-dimethyl-2-(4-methylphenyl)-1H-1,8-naphthyridin-4-one has a molecular weight of 264.33 g/mol, XLogP of 3.52, 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-(4-methylphenyl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 10849224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).