4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine

C20H17FN4O — CID 174464899

IUPAC4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine
SMILESFc1cc2[nH]c(-c3cnc4ccccc4c3)nc2cc1N1CCOCC1
InChIInChI=1S/C20H17FN4O/c21-15-10-17-18(11-19(15)25-5-7-26-8-6-25)24-20(23-17)14-9-13-3-1-2-4-16(13)22-12-14/h1-4,9-12H,5-8H2,(H,23,24)
InChIKeyIRASARSIWLLBPG-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.75
Rot. Bonds2

About 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine

4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine (PubChem CID 174464899) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine
PubChem CID174464899
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine
SMILESFc1cc2[nH]c(-c3cnc4ccccc4c3)nc2cc1N1CCOCC1
InChIInChI=1S/C20H17FN4O/c21-15-10-17-18(11-19(15)25-5-7-26-8-6-25)24-20(23-17)14-9-13-3-1-2-4-16(13)22-12-14/h1-4,9-12H,5-8H2,(H,23,24)
InChIKeyIRASARSIWLLBPG-UHFFFAOYSA-N
XLogP3.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine?
The IUPAC name of 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine (CID 174464899) is 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine.
What is the SMILES notation for 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine?
The canonical SMILES for 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine is Fc1cc2[nH]c(-c3cnc4ccccc4c3)nc2cc1N1CCOCC1.
What is the InChIKey of 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine?
The InChIKey is IRASARSIWLLBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-15-10-17-18(11-19(15)25-5-7-26-8-6-25)24-20(23-17)14-9-13-3-1-2-4-16(13)22-12-14/h1-4,9-12H,5-8H2,(H,23,24).
What are the key properties of 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine?
4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine has a molecular weight of 348.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine is sourced from PubChem (CID 174464899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).