1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

C20H20N2O3S — CID 20996208

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1cc(C)c(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1C
InChIInChI=1S/C20H20N2O3S/c1-13-11-19(14(2)10-18(13)25-3)26(23,24)22-9-8-16-12-15-6-4-5-7-17(15)21-20(16)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyXOHAEACEYFWVFH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996208) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996208
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1cc(C)c(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1C
InChIInChI=1S/C20H20N2O3S/c1-13-11-19(14(2)10-18(13)25-3)26(23,24)22-9-8-16-12-15-6-4-5-7-17(15)21-20(16)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyXOHAEACEYFWVFH-UHFFFAOYSA-N
XLogP3.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996208) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1cc(C)c(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is XOHAEACEYFWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-11-19(14(2)10-18(13)25-3)26(23,24)22-9-8-16-12-15-6-4-5-7-17(15)21-20(16)22/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 368.46 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).