4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one

C20H22N2O3 — CID 160742919

IUPAC4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
SMILESCCCc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C20H22N2O3/c1-5-6-15-18(24-3)9-13(10-19(15)25-4)17-12-22(2)20(23)16-11-21-8-7-14(16)17/h7-12H,5-6H2,1-4H3
InChIKeyCHULPNYLZAHRAO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds5

About 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one

4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one (PubChem CID 160742919) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
PubChem CID160742919
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
SMILESCCCc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C20H22N2O3/c1-5-6-15-18(24-3)9-13(10-19(15)25-4)17-12-22(2)20(23)16-11-21-8-7-14(16)17/h7-12H,5-6H2,1-4H3
InChIKeyCHULPNYLZAHRAO-UHFFFAOYSA-N
XLogP3.57
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 168729664
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 156707453
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640
4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 155026850
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672337
methyl 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]bicyclo[1.1.0]butane-1-carboxylate
CID 154672012
4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139402616

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one (CID 160742919) is 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one is CCCc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC.
What is the InChIKey of 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is CHULPNYLZAHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-5-6-15-18(24-3)9-13(10-19(15)25-4)17-12-22(2)20(23)16-11-21-8-7-14(16)17/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one?
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 338.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 160742919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).