1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

C19H17FN2O3S — CID 20996455

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)c(C)c1)CC3
InChIInChI=1S/C19H17FN2O3S/c1-12-9-16(5-6-17(12)20)26(23,24)22-8-7-14-10-13-3-4-15(25-2)11-18(13)21-19(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNTLAASSBLXBYIW-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996455) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996455
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)c(C)c1)CC3
InChIInChI=1S/C19H17FN2O3S/c1-12-9-16(5-6-17(12)20)26(23,24)22-8-7-14-10-13-3-4-15(25-2)11-18(13)21-19(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNTLAASSBLXBYIW-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996455) is 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)c(C)c1)CC3.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is NTLAASSBLXBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-12-9-16(5-6-17(12)20)26(23,24)22-8-7-14-10-13-3-4-15(25-2)11-18(13)21-19(14)22/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 372.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).