9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid

C24H23N5O7S — CID 91102325

IUPAC9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)NC3CNCC34C(=O)NC(=O)N4C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H23N5O7S/c1-14-10-15(18-4-2-3-5-19(18)26-14)12-36-16-6-8-17(9-7-16)37(34,35)28-20-11-25-13-24(20)21(30)27-22(31)29(24)23(32)33/h2-10,20,25,28H,11-13H2,1H3,(H,32,33)(H,27,30,31)
InChIKeyNYSRMMDMZIDPRX-UHFFFAOYSA-N
MW525.54 g/mol
LogP1.34
Rot. Bonds6

About 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid

9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid (PubChem CID 91102325) has the molecular formula C24H23N5O7S and a molecular weight of 525.54 g/mol. Its IUPAC name is 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid.

Molecular Properties

Compound Name9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid
PubChem CID91102325
Molecular FormulaC24H23N5O7S
Molecular Weight525.54 g/mol
Exact Mass525.13
IUPAC Name9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)NC3CNCC34C(=O)NC(=O)N4C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H23N5O7S/c1-14-10-15(18-4-2-3-5-19(18)26-14)12-36-16-6-8-17(9-7-16)37(34,35)28-20-11-25-13-24(20)21(30)27-22(31)29(24)23(32)33/h2-10,20,25,28H,11-13H2,1H3,(H,32,33)(H,27,30,31)
InChIKeyNYSRMMDMZIDPRX-UHFFFAOYSA-N
XLogP1.34
TPSA167.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid?
The IUPAC name of 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid (CID 91102325) is 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid.
What is the SMILES notation for 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid?
The canonical SMILES for 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid is Cc1cc(COc2ccc(S(=O)(=O)NC3CNCC34C(=O)NC(=O)N4C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid?
The InChIKey is NYSRMMDMZIDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O7S/c1-14-10-15(18-4-2-3-5-19(18)26-14)12-36-16-6-8-17(9-7-16)37(34,35)28-20-11-25-13-24(20)21(30)27-22(31)29(24)23(32)33/h2-10,20,25,28H,11-13H2,1H3,(H,32,33)(H,27,30,31).
What are the key properties of 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid?
9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid has a molecular weight of 525.54 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-1-carboxylic acid is sourced from PubChem (CID 91102325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).