1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline

C20H23N3O2S — CID 70437527

IUPAC1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCN1c2c(cccc2S(=O)c2nc3ccc(OC)cc3[nH]2)CCC1C
InChIInChI=1S/C20H23N3O2S/c1-4-23-13(2)8-9-14-6-5-7-18(19(14)23)26(24)20-21-16-11-10-15(25-3)12-17(16)22-20/h5-7,10-13H,4,8-9H2,1-3H3,(H,21,22)
InChIKeyRISAORSJUUUEAL-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.90
Rot. Bonds4

About 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline

1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 70437527) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID70437527
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline
SMILESCCN1c2c(cccc2S(=O)c2nc3ccc(OC)cc3[nH]2)CCC1C
InChIInChI=1S/C20H23N3O2S/c1-4-23-13(2)8-9-14-6-5-7-18(19(14)23)26(24)20-21-16-11-10-15(25-3)12-17(16)22-20/h5-7,10-13H,4,8-9H2,1-3H3,(H,21,22)
InChIKeyRISAORSJUUUEAL-UHFFFAOYSA-N
XLogP3.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline (CID 70437527) is 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline is CCN1c2c(cccc2S(=O)c2nc3ccc(OC)cc3[nH]2)CCC1C.
What is the InChIKey of 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is RISAORSJUUUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-23-13(2)8-9-14-6-5-7-18(19(14)23)26(24)20-21-16-11-10-15(25-3)12-17(16)22-20/h5-7,10-13H,4,8-9H2,1-3H3,(H,21,22).
What are the key properties of 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline?
1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 369.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 70437527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).