(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline

C20H21N3O2S — CID 97318248

IUPAC(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
SMILESCCc1ccc(S(=O)(=O)N2C[C@H](n3ccnc3)Cc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-16-7-9-19(10-8-16)26(24,25)23-14-18(22-12-11-21-15-22)13-17-5-3-4-6-20(17)23/h3-12,15,18H,2,13-14H2,1H3/t18-/m1/s1
InChIKeyKIBWOOMOMGPPLF-GOSISDBHSA-N
MW367.47 g/mol
LogP3.44
Rot. Bonds4

About (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline

(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline (PubChem CID 97318248) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
PubChem CID97318248
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline
SMILESCCc1ccc(S(=O)(=O)N2C[C@H](n3ccnc3)Cc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-16-7-9-19(10-8-16)26(24,25)23-14-18(22-12-11-21-15-22)13-17-5-3-4-6-20(17)23/h3-12,15,18H,2,13-14H2,1H3/t18-/m1/s1
InChIKeyKIBWOOMOMGPPLF-GOSISDBHSA-N
XLogP3.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline (CID 97318248) is (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline is CCc1ccc(S(=O)(=O)N2C[C@H](n3ccnc3)Cc3ccccc32)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
The InChIKey is KIBWOOMOMGPPLF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-16-7-9-19(10-8-16)26(24,25)23-14-18(22-12-11-21-15-22)13-17-5-3-4-6-20(17)23/h3-12,15,18H,2,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline?
(3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline has a molecular weight of 367.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)sulfonyl-3-imidazol-1-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 97318248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).