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

C21H20FN5O3 — CID 144959025

IUPACfluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESO=C(OF)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C21H20FN5O3/c22-30-21(28)15-13-14-5-6-18(23-7-8-26-9-11-29-12-10-26)25-19(14)27-17-4-2-1-3-16(17)24-20(15)27/h1-6,13H,7-12H2,(H,23,25)
InChIKeySXFWPVGUTKSNEB-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.82
Rot. Bonds5

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

fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 144959025) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Namefluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID144959025
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Namefluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESO=C(OF)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C21H20FN5O3/c22-30-21(28)15-13-14-5-6-18(23-7-8-26-9-11-29-12-10-26)25-19(14)27-17-4-2-1-3-16(17)24-20(15)27/h1-6,13H,7-12H2,(H,23,25)
InChIKeySXFWPVGUTKSNEB-UHFFFAOYSA-N
XLogP2.82
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate (CID 144959025) is fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate is O=C(OF)c1cc2ccc(NCCN3CCOCC3)nc2n2c1nc1ccccc12.
What is the InChIKey of fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is SXFWPVGUTKSNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-30-21(28)15-13-14-5-6-18(23-7-8-26-9-11-29-12-10-26)25-19(14)27-17-4-2-1-3-16(17)24-20(15)27/h1-6,13H,7-12H2,(H,23,25).
What are the key properties of fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate?
fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 409.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-morpholin-4-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 144959025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).