(3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid

C24H24N4O4S — CID 118952737

IUPAC(3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid
SMILESCc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c2ccccc2n1C
InChIInChI=1S/C24H24N4O4S/c1-15-23(18-6-3-4-8-20(18)27(15)2)33(31,32)26-19-9-10-21(22-17(19)7-5-12-25-22)28-13-11-16(14-28)24(29)30/h3-10,12,16,26H,11,13-14H2,1-2H3,(H,29,30)/t16-/m1/s1
InChIKeyMJOFZKWEONNPSB-MRXNPFEDSA-N
MW464.55 g/mol
LogP3.75
Rot. Bonds5

About (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid

(3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid (PubChem CID 118952737) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid
PubChem CID118952737
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name(3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid
SMILESCc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c2ccccc2n1C
InChIInChI=1S/C24H24N4O4S/c1-15-23(18-6-3-4-8-20(18)27(15)2)33(31,32)26-19-9-10-21(22-17(19)7-5-12-25-22)28-13-11-16(14-28)24(29)30/h3-10,12,16,26H,11,13-14H2,1-2H3,(H,29,30)/t16-/m1/s1
InChIKeyMJOFZKWEONNPSB-MRXNPFEDSA-N
XLogP3.75
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid (CID 118952737) is (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid is Cc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c2ccccc2n1C.
What is the InChIKey of (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is MJOFZKWEONNPSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15-23(18-6-3-4-8-20(18)27(15)2)33(31,32)26-19-9-10-21(22-17(19)7-5-12-25-22)28-13-11-16(14-28)24(29)30/h3-10,12,16,26H,11,13-14H2,1-2H3,(H,29,30)/t16-/m1/s1.
What are the key properties of (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid?
(3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 464.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-[(1,2-dimethylindol-3-yl)sulfonylamino]quinolin-8-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118952737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).