ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate

C23H25N5O3 — CID 118509917

IUPACethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C23H25N5O3/c1-2-31-23(29)17-15-16-7-8-20(24-9-10-27-11-13-30-14-12-27)26-21(16)28-19-6-4-3-5-18(19)25-22(17)28/h3-8,15H,2,9-14H2,1H3,(H,24,26)
InChIKeyMGZKWCMAOWGKSV-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.96
Rot. Bonds6

About ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate

ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 118509917) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID118509917
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Nameethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C23H25N5O3/c1-2-31-23(29)17-15-16-7-8-20(24-9-10-27-11-13-30-14-12-27)26-21(16)28-19-6-4-3-5-18(19)25-22(17)28/h3-8,15H,2,9-14H2,1H3,(H,24,26)
InChIKeyMGZKWCMAOWGKSV-UHFFFAOYSA-N
XLogP2.96
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate with MolForge

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Related Compounds

2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509849
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1188194
ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109154207
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
CID 1191454
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate (CID 118509917) is ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12.
What is the InChIKey of ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is MGZKWCMAOWGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-31-23(29)17-15-16-7-8-20(24-9-10-27-11-13-30-14-12-27)26-21(16)28-19-6-4-3-5-18(19)25-22(17)28/h3-8,15H,2,9-14H2,1H3,(H,24,26).
What are the key properties of ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 419.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 118509917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).