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

C21H23N3O3 — CID 139370990

IUPAC2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one
SMILESCNCc1c(OC)cc(-c2cn(C3CC3)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C21H23N3O3/c1-22-10-17-19(26-2)8-13(9-20(17)27-3)18-12-24(14-4-5-14)21(25)16-11-23-7-6-15(16)18/h6-9,11-12,14,22H,4-5,10H2,1-3H3
InChIKeyHVKXHGGPFUTNOB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.13
Rot. Bonds6

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

2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one (PubChem CID 139370990) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one
PubChem CID139370990
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one
SMILESCNCc1c(OC)cc(-c2cn(C3CC3)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C21H23N3O3/c1-22-10-17-19(26-2)8-13(9-20(17)27-3)18-12-24(14-4-5-14)21(25)16-11-23-7-6-15(16)18/h6-9,11-12,14,22H,4-5,10H2,1-3H3
InChIKeyHVKXHGGPFUTNOB-UHFFFAOYSA-N
XLogP3.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one (CID 139370990) is 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one is CNCc1c(OC)cc(-c2cn(C3CC3)c(=O)c3cnccc23)cc1OC.
What is the InChIKey of 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one?
The InChIKey is HVKXHGGPFUTNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-22-10-17-19(26-2)8-13(9-20(17)27-3)18-12-24(14-4-5-14)21(25)16-11-23-7-6-15(16)18/h6-9,11-12,14,22H,4-5,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one?
2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one has a molecular weight of 365.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 139370990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).