1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

C19H18N2O4S — CID 20996203

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1OC
InChIInChI=1S/C19H18N2O4S/c1-24-17-8-7-15(12-18(17)25-2)26(22,23)21-10-9-14-11-13-5-3-4-6-16(13)20-19(14)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyVLFZWZCYAOXNGC-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.00
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996203) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996203
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1OC
InChIInChI=1S/C19H18N2O4S/c1-24-17-8-7-15(12-18(17)25-2)26(22,23)21-10-9-14-11-13-5-3-4-6-16(13)20-19(14)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyVLFZWZCYAOXNGC-UHFFFAOYSA-N
XLogP3.00
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996203) is 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is VLFZWZCYAOXNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-24-17-8-7-15(12-18(17)25-2)26(22,23)21-10-9-14-11-13-5-3-4-6-16(13)20-19(14)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 370.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).