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

C21H20N6O — CID 118509849

IUPAC2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C21H20N6O/c22-14-16-13-15-5-6-19(23-7-8-26-9-11-28-12-10-26)25-20(15)27-18-4-2-1-3-17(18)24-21(16)27/h1-6,13H,7-12H2,(H,23,25)
InChIKeyPOKOLJFFILFACD-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.65
Rot. Bonds4

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

2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile (PubChem CID 118509849) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
PubChem CID118509849
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
SMILESN#Cc1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C21H20N6O/c22-14-16-13-15-5-6-19(23-7-8-26-9-11-28-12-10-26)25-20(15)27-18-4-2-1-3-17(18)24-21(16)27/h1-6,13H,7-12H2,(H,23,25)
InChIKeyPOKOLJFFILFACD-UHFFFAOYSA-N
XLogP2.65
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
CID 118509917
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
3-methyl-1-(2-morpholin-4-ylethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743371
11-(3-morpholin-4-ylpropylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 3157189
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157185
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
16-(2-piperidin-1-ylethylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 1184866
2-(1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile
CID 118509848
N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168139
2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile (CID 118509849) is 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile is N#Cc1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
The InChIKey is POKOLJFFILFACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-14-16-13-15-5-6-19(23-7-8-26-9-11-28-12-10-26)25-20(15)27-18-4-2-1-3-17(18)24-21(16)27/h1-6,13H,7-12H2,(H,23,25).
What are the key properties of 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile?
2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile is sourced from PubChem (CID 118509849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).