N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C22H23N3O4S — CID 5308685

IUPACN-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C22H23N3O4S/c1-29-19-11-3-2-7-17(19)15-24-22(26)18-10-6-14-25(18)30(27,28)20-12-4-8-16-9-5-13-23-21(16)20/h2-5,7-9,11-13,18H,6,10,14-15H2,1H3,(H,24,26)
InChIKeySJDJIADQWDSXPC-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.71
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 5308685) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID5308685
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C22H23N3O4S/c1-29-19-11-3-2-7-17(19)15-24-22(26)18-10-6-14-25(18)30(27,28)20-12-4-8-16-9-5-13-23-21(16)20/h2-5,7-9,11-13,18H,6,10,14-15H2,1H3,(H,24,26)
InChIKeySJDJIADQWDSXPC-UHFFFAOYSA-N
XLogP2.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 5308685) is N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SJDJIADQWDSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-19-11-3-2-7-17(19)15-24-22(26)18-10-6-14-25(18)30(27,28)20-12-4-8-16-9-5-13-23-21(16)20/h2-5,7-9,11-13,18H,6,10,14-15H2,1H3,(H,24,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5308685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).