2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one

C22H25N3O3 — CID 139371144

IUPAC2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C3CC3)c(=O)c3cnccc23)cc(OC)c1CN(C)C
InChIInChI=1S/C22H25N3O3/c1-24(2)12-19-20(27-3)9-14(10-21(19)28-4)18-13-25(15-5-6-15)22(26)17-11-23-8-7-16(17)18/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyULDHNEGYCQYKQF-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.48
Rot. Bonds6

About 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one

2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one (PubChem CID 139371144) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one
PubChem CID139371144
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one
SMILESCOc1cc(-c2cn(C3CC3)c(=O)c3cnccc23)cc(OC)c1CN(C)C
InChIInChI=1S/C22H25N3O3/c1-24(2)12-19-20(27-3)9-14(10-21(19)28-4)18-13-25(15-5-6-15)22(26)17-11-23-8-7-16(17)18/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyULDHNEGYCQYKQF-UHFFFAOYSA-N
XLogP3.48
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one (CID 139371144) is 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one is COc1cc(-c2cn(C3CC3)c(=O)c3cnccc23)cc(OC)c1CN(C)C.
What is the InChIKey of 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one?
The InChIKey is ULDHNEGYCQYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-24(2)12-19-20(27-3)9-14(10-21(19)28-4)18-13-25(15-5-6-15)22(26)17-11-23-8-7-16(17)18/h7-11,13,15H,5-6,12H2,1-4H3.
What are the key properties of 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one?
2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one has a molecular weight of 379.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 139371144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).