1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline

C16H20N2O2S — CID 110672743

IUPAC1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCCS(=O)(=O)N1CCc2cc3cc(C(C)C)ccc3nc21
InChIInChI=1S/C16H20N2O2S/c1-4-21(19,20)18-8-7-13-10-14-9-12(11(2)3)5-6-15(14)17-16(13)18/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyIXOPHOQKPDWZTH-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.07
Rot. Bonds3

About 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline

1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 110672743) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID110672743
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCCS(=O)(=O)N1CCc2cc3cc(C(C)C)ccc3nc21
InChIInChI=1S/C16H20N2O2S/c1-4-21(19,20)18-8-7-13-10-14-9-12(11(2)3)5-6-15(14)17-16(13)18/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyIXOPHOQKPDWZTH-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890347
N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]methanesulfonamide
CID 90676207
4-Methyl-2-(1-pyrrolidinyl)quinoline
CID 910458
4,8-Dimethyl-2-(1-pyrrolidinyl)quinoline
CID 3741252
6-Methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
CID 648749
4-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-1-ium-1-yl]butane-1-sulfonate
CID 20593774
2-[4-(Benzenesulfonyl)piperazin-1-yl]-4,8-dimethylquinoline
CID 1488103
N-ethyl-N-phenyl-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 16024856
1-benzyl-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-amine
CID 6611738
N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide
CID 50974274
4-methyl-N-(2-methylsulfonylethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-amine
CID 50984717
[1-(4-Cyanoquinolin-2-yl)piperidin-4-yl]methanesulfonamide
CID 71985391

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 110672743) is 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline is CCS(=O)(=O)N1CCc2cc3cc(C(C)C)ccc3nc21.
What is the InChIKey of 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is IXOPHOQKPDWZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-21(19,20)18-8-7-13-10-14-9-12(11(2)3)5-6-15(14)17-16(13)18/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 304.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-6-propan-2-yl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 110672743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).