8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one

C20H23N3O3 — CID 127052023

IUPAC8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cccnc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)14-7-6-8-21-19(14)15/h6-10,12H,11H2,1-5H3
InChIKeyZQINLBLOOLHFAT-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.68
Rot. Bonds5

About 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one

8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one (PubChem CID 127052023) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
PubChem CID127052023
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cccnc23)cc(OC)c1CN(C)C
InChIInChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)14-7-6-8-21-19(14)15/h6-10,12H,11H2,1-5H3
InChIKeyZQINLBLOOLHFAT-UHFFFAOYSA-N
XLogP2.68
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

BI-9564
CID 117072549
4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2-Methyl-2,7-Naphthyridin-1-One
CID 118796358
N-(2,6-dimethoxybenzyl)-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2727328
6-(2,6-Dimethoxyphenyl)-1-((2-phenylpyridin-4-yl)methyl)piperidin-2-one
CID 69080156
6-(2,6-Dimethoxyphenyl)-1-(3-(pyridin-2-yl)benzyl)piperidin-2-one
CID 69081570
(E)-1-(3,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 118491240
8-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
CID 127051087
5-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
CID 127051726
4-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 127051727
4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 155561294
7-methoxy-6-propyl-3-(pyridin-2-yl)-4H-chromen-4-one
CID 740743
(2,6-Dimethoxy-phenyl)-(4-pyridin-3-ylmethyl-piperazin-1-yl)-methanone
CID 1112890

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one?
The IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one (CID 127052023) is 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one is COc1cc(-c2cn(C)c(=O)c3cccnc23)cc(OC)c1CN(C)C.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one?
The InChIKey is ZQINLBLOOLHFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)14-7-6-8-21-19(14)15/h6-10,12H,11H2,1-5H3.
What are the key properties of 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one?
8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one has a molecular weight of 353.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-6-methyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 127052023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).