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

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

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Launch Full Analysis

Related Compounds

8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-1-prop-2-enyl-3,4-dihydro-2H-quinoline
CID 15053218
2-(6-bicyclo[3.2.1]octa-1(8),2,4-trienylsulfinyl)-6-methoxy-1H-benzimidazole
CID 142626054
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,3-trimethylaniline
CID 14578624
6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018818
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 2650081
4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
CID 82336375
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylpyrimidin-4-amine
CID 14306142
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
(3R)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 29127081
ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
CID 15059508
2-[3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetic acid
CID 162799921
2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
CID 10109320

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).