4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

C21H24N2O3 — CID 139402616

IUPAC4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(OC)c(CC(C)C)c(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C21H24N2O3/c1-13(2)8-17-16(9-14(25-4)10-20(17)26-5)19-12-23(3)21(24)18-11-22-7-6-15(18)19/h6-7,9-13H,8H2,1-5H3
InChIKeyRFWJVQXZKBTNTQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.82
Rot. Bonds5

About 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 139402616) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID139402616
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(OC)c(CC(C)C)c(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C21H24N2O3/c1-13(2)8-17-16(9-14(25-4)10-20(17)26-5)19-12-23(3)21(24)18-11-22-7-6-15(18)19/h6-7,9-13H,8H2,1-5H3
InChIKeyRFWJVQXZKBTNTQ-UHFFFAOYSA-N
XLogP3.82
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 156707453
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-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-3-methylazetidine-3-carboxylic acid
CID 154672640
4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 139402616) is 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is COc1cc(OC)c(CC(C)C)c(-c2cn(C)c(=O)c3cnccc23)c1.
What is the InChIKey of 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is RFWJVQXZKBTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13(2)8-17-16(9-14(25-4)10-20(17)26-5)19-12-23(3)21(24)18-11-22-7-6-15(18)19/h6-7,9-13H,8H2,1-5H3.
What are the key properties of 4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.82, 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-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 139402616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).