3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one

C21H30N4O2 — CID 58913005

IUPAC3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
SMILESCN(C)CCCN(C)CCC(=O)N1CCc2c([nH]c(=O)c3ccccc23)C1
InChIInChI=1S/C21H30N4O2/c1-23(2)11-6-12-24(3)13-10-20(26)25-14-9-17-16-7-4-5-8-18(16)21(27)22-19(17)15-25/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,27)
InChIKeyOHBJLGOYDJMORD-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.69
Rot. Bonds7

About 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one

3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one (PubChem CID 58913005) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
PubChem CID58913005
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
SMILESCN(C)CCCN(C)CCC(=O)N1CCc2c([nH]c(=O)c3ccccc23)C1
InChIInChI=1S/C21H30N4O2/c1-23(2)11-6-12-24(3)13-10-20(26)25-14-9-17-16-7-4-5-8-18(16)21(27)22-19(17)15-25/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,27)
InChIKeyOHBJLGOYDJMORD-UHFFFAOYSA-N
XLogP1.69
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one (CID 58913005) is 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one is CN(C)CCCN(C)CCC(=O)N1CCc2c([nH]c(=O)c3ccccc23)C1.
What is the InChIKey of 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
The InChIKey is OHBJLGOYDJMORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(2)11-6-12-24(3)13-10-20(26)25-14-9-17-16-7-4-5-8-18(16)21(27)22-19(17)15-25/h4-5,7-8H,6,9-15H2,1-3H3,(H,22,27).
What are the key properties of 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one has a molecular weight of 370.50 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(dimethylamino)propyl-methylamino]propanoyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 58913005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).