4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine

C20H18N4O2S — CID 155312842

IUPAC4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine
SMILESO=S(c1ccc2nc(-c3ccc4cccnc4c3)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C20H18N4O2S/c25-27(24-8-10-26-11-9-24)16-5-6-17-19(13-16)23-20(22-17)15-4-3-14-2-1-7-21-18(14)12-15/h1-7,12-13H,8-11H2,(H,22,23)
InChIKeyVKAZNUSUJHMWKK-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.13
Rot. Bonds3

About 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine

4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine (PubChem CID 155312842) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine.

Molecular Properties

Compound Name4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine
PubChem CID155312842
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine
SMILESO=S(c1ccc2nc(-c3ccc4cccnc4c3)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C20H18N4O2S/c25-27(24-8-10-26-11-9-24)16-5-6-17-19(13-16)23-20(22-17)15-4-3-14-2-1-7-21-18(14)12-15/h1-7,12-13H,8-11H2,(H,22,23)
InChIKeyVKAZNUSUJHMWKK-UHFFFAOYSA-N
XLogP3.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine?
The IUPAC name of 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine (CID 155312842) is 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine.
What is the SMILES notation for 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine?
The canonical SMILES for 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine is O=S(c1ccc2nc(-c3ccc4cccnc4c3)[nH]c2c1)N1CCOCC1.
What is the InChIKey of 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine?
The InChIKey is VKAZNUSUJHMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-27(24-8-10-26-11-9-24)16-5-6-17-19(13-16)23-20(22-17)15-4-3-14-2-1-7-21-18(14)12-15/h1-7,12-13H,8-11H2,(H,22,23).
What are the key properties of 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine?
4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine has a molecular weight of 378.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine is sourced from PubChem (CID 155312842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).