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

C18H15FN2O3S — CID 110672781

IUPAC7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccc(F)cc4nc32)cc1
InChIInChI=1S/C18H15FN2O3S/c1-24-15-4-6-16(7-5-15)25(22,23)21-9-8-13-10-12-2-3-14(19)11-17(12)20-18(13)21/h2-7,10-11H,8-9H2,1H3
InChIKeyRLMBSDXAWDSBHM-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.13
Rot. Bonds3

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

7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 110672781) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID110672781
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccc(F)cc4nc32)cc1
InChIInChI=1S/C18H15FN2O3S/c1-24-15-4-6-16(7-5-15)25(22,23)21-9-8-13-10-12-2-3-14(19)11-17(12)20-18(13)21/h2-7,10-11H,8-9H2,1H3
InChIKeyRLMBSDXAWDSBHM-UHFFFAOYSA-N
XLogP3.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 110672781) is 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc(S(=O)(=O)N2CCc3cc4ccc(F)cc4nc32)cc1.
What is the InChIKey of 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is RLMBSDXAWDSBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-24-15-4-6-16(7-5-15)25(22,23)21-9-8-13-10-12-2-3-14(19)11-17(12)20-18(13)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 358.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 110672781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).