7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

C21H22N2O2S — CID 20996313

IUPAC7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3
InChIInChI=1S/C21H22N2O2S/c1-14(2)16-6-8-19(9-7-16)26(24,25)23-11-10-18-13-17-5-4-15(3)12-20(17)22-21(18)23/h4-9,12-14H,10-11H2,1-3H3
InChIKeyRZTKISGZPPZBBD-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.42
Rot. Bonds3

About 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996313) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996313
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3
InChIInChI=1S/C21H22N2O2S/c1-14(2)16-6-8-19(9-7-16)26(24,25)23-11-10-18-13-17-5-4-15(3)12-20(17)22-21(18)23/h4-9,12-14H,10-11H2,1-3H3
InChIKeyRZTKISGZPPZBBD-UHFFFAOYSA-N
XLogP4.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996313) is 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3.
What is the InChIKey of 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is RZTKISGZPPZBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14(2)16-6-8-19(9-7-16)26(24,25)23-11-10-18-13-17-5-4-15(3)12-20(17)22-21(18)23/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 366.49 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).