1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline

C22H21N3O3S — CID 90469587

IUPAC1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(OC4CCNC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H21N3O3S/c1-15-5-4-6-17(13-15)29(26,27)25-12-10-19-21(25)18-7-2-3-8-20(18)24-22(19)28-16-9-11-23-14-16/h2-8,10,12-13,16,23H,9,11,14H2,1H3
InChIKeyUVRPEALEMXAADA-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline

1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline (PubChem CID 90469587) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
PubChem CID90469587
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(OC4CCNC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H21N3O3S/c1-15-5-4-6-17(13-15)29(26,27)25-12-10-19-21(25)18-7-2-3-8-20(18)24-22(19)28-16-9-11-23-14-16/h2-8,10,12-13,16,23H,9,11,14H2,1H3
InChIKeyUVRPEALEMXAADA-UHFFFAOYSA-N
XLogP3.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline (CID 90469587) is 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline is Cc1cccc(S(=O)(=O)n2ccc3c(OC4CCNC4)nc4ccccc4c32)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The InChIKey is UVRPEALEMXAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-15-5-4-6-17(13-15)29(26,27)25-12-10-19-21(25)18-7-2-3-8-20(18)24-22(19)28-16-9-11-23-14-16/h2-8,10,12-13,16,23H,9,11,14H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline has a molecular weight of 407.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).