ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate

C21H23N5O2 — CID 118509829

IUPACethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2ccc(NCCN(C)C)nc2n2c1nc1ccccc12
InChIInChI=1S/C21H23N5O2/c1-4-28-21(27)15-13-14-9-10-18(22-11-12-25(2)3)24-19(14)26-17-8-6-5-7-16(17)23-20(15)26/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)
InChIKeyORABSTIARJDOJS-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate

ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 118509829) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID118509829
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2ccc(NCCN(C)C)nc2n2c1nc1ccccc12
InChIInChI=1S/C21H23N5O2/c1-4-28-21(27)15-13-14-9-10-18(22-11-12-25(2)3)24-19(14)26-17-8-6-5-7-16(17)23-20(15)26/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)
InChIKeyORABSTIARJDOJS-UHFFFAOYSA-N
XLogP3.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate (CID 118509829) is ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1cc2ccc(NCCN(C)C)nc2n2c1nc1ccccc12.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is ORABSTIARJDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-28-21(27)15-13-14-9-10-18(22-11-12-25(2)3)24-19(14)26-17-8-6-5-7-16(17)23-20(15)26/h5-10,13H,4,11-12H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 377.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 118509829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).