(3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine

C24H24N4O3S — CID 71694138

IUPAC(3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
SMILESCS(=O)(=O)c1ccc(-c2cnc([C@@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)cc1
InChIInChI=1S/C24H24N4O3S/c1-32(29,30)20-8-6-18(7-9-20)22-14-26-24(27-22)23-16-31-11-10-28(23)15-17-12-19-4-2-3-5-21(19)25-13-17/h2-9,12-14,23H,10-11,15-16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyAILPCAPGFQARMP-QHCPKHFHSA-N
MW448.55 g/mol
LogP3.60
Rot. Bonds5

About (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine

(3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine (PubChem CID 71694138) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
PubChem CID71694138
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name(3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
SMILESCS(=O)(=O)c1ccc(-c2cnc([C@@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)cc1
InChIInChI=1S/C24H24N4O3S/c1-32(29,30)20-8-6-18(7-9-20)22-14-26-24(27-22)23-16-31-11-10-28(23)15-17-12-19-4-2-3-5-21(19)25-13-17/h2-9,12-14,23H,10-11,15-16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyAILPCAPGFQARMP-QHCPKHFHSA-N
XLogP3.60
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
The IUPAC name of (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine (CID 71694138) is (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine.
What is the SMILES notation for (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
The canonical SMILES for (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine is CS(=O)(=O)c1ccc(-c2cnc([C@@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)cc1.
What is the InChIKey of (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
The InChIKey is AILPCAPGFQARMP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-32(29,30)20-8-6-18(7-9-20)22-14-26-24(27-22)23-16-31-11-10-28(23)15-17-12-19-4-2-3-5-21(19)25-13-17/h2-9,12-14,23H,10-11,15-16H2,1H3,(H,26,27)/t23-/m0/s1.
What are the key properties of (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine?
(3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine has a molecular weight of 448.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine is sourced from PubChem (CID 71694138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).