2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one

C18H19N5O — CID 159303718

IUPAC2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one
SMILESCN(C)CCNc1ccc2c(n1)-n1c(nc3ccccc31)C(=O)C2
InChIInChI=1S/C18H19N5O/c1-22(2)10-9-19-16-8-7-12-11-15(24)18-20-13-5-3-4-6-14(13)23(18)17(12)21-16/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyZJKPBPHEKZGBLC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one

2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one (PubChem CID 159303718) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one
PubChem CID159303718
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one
SMILESCN(C)CCNc1ccc2c(n1)-n1c(nc3ccccc31)C(=O)C2
InChIInChI=1S/C18H19N5O/c1-22(2)10-9-19-16-8-7-12-11-15(24)18-20-13-5-3-4-6-14(13)23(18)17(12)21-16/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyZJKPBPHEKZGBLC-UHFFFAOYSA-N
XLogP2.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one (CID 159303718) is 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one is CN(C)CCNc1ccc2c(n1)-n1c(nc3ccccc31)C(=O)C2.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one?
The InChIKey is ZJKPBPHEKZGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22(2)10-9-19-16-8-7-12-11-15(24)18-20-13-5-3-4-6-14(13)23(18)17(12)21-16/h3-8H,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one?
2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one has a molecular weight of 321.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-5H-benzimidazolo[1,2-a][1,8]naphthyridin-6-one is sourced from PubChem (CID 159303718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).