4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one

C19H20N2O2 — CID 156707453

IUPAC4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C(C)C
InChIInChI=1S/C19H20N2O2/c1-12(2)14-6-5-13(9-18(14)23-4)17-11-21(3)19(22)16-10-20-8-7-15(16)17/h5-12H,1-4H3
InChIKeyVHXNFWRMJOEIQJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.73
Rot. Bonds3

About 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one

4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one (PubChem CID 156707453) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
PubChem CID156707453
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C(C)C
InChIInChI=1S/C19H20N2O2/c1-12(2)14-6-5-13(9-18(14)23-4)17-11-21(3)19(22)16-10-20-8-7-15(16)17/h5-12H,1-4H3
InChIKeyVHXNFWRMJOEIQJ-UHFFFAOYSA-N
XLogP3.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794
4-[3,5-dimethoxy-2-(2-methylpropyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139402616
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
2-methyl-4-propan-2-yl-2,6-naphthyridin-1-one
CID 147727111
4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 168729664
2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one
CID 167379558
4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde
CID 139370969
4-(3-methoxy-4-propan-2-ylphenyl)pyridine
CID 177192747
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one (CID 156707453) is 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one is COc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C(C)C.
What is the InChIKey of 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is VHXNFWRMJOEIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)14-6-5-13(9-18(14)23-4)17-11-21(3)19(22)16-10-20-8-7-15(16)17/h5-12H,1-4H3.
What are the key properties of 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one?
4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 156707453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).