methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate

C26H21N3O4S — CID 148844597

IUPACmethyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(C#Cc2ccccc2NS(=O)(=O)c2c(C)ccc3cccnc23)cn1
InChIInChI=1S/C26H21N3O4S/c1-17-10-11-20-8-6-14-27-24(20)25(17)34(31,32)29-22-9-5-4-7-19(22)12-13-21-16-28-23(15-18(21)2)26(30)33-3/h4-11,14-16,29H,1-3H3
InChIKeyOWFDMRWLBINNSK-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.23
Rot. Bonds4

About methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate

methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate (PubChem CID 148844597) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate
PubChem CID148844597
Molecular FormulaC26H21N3O4S
Molecular Weight471.54 g/mol
Exact Mass471.13
IUPAC Namemethyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(C#Cc2ccccc2NS(=O)(=O)c2c(C)ccc3cccnc23)cn1
InChIInChI=1S/C26H21N3O4S/c1-17-10-11-20-8-6-14-27-24(20)25(17)34(31,32)29-22-9-5-4-7-19(22)12-13-21-16-28-23(15-18(21)2)26(30)33-3/h4-11,14-16,29H,1-3H3
InChIKeyOWFDMRWLBINNSK-UHFFFAOYSA-N
XLogP4.23
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid
CID 152516697
4-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]isoquinoline-1-carboxylic acid
CID 151812332
methyl (3R)-4-acetyloxy-3-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-3H-pyrrole-5-carboxylate
CID 167297945
N-[4-bromo-5-fluoro-2-(2-pyridin-3-ylethynyl)phenyl]-7-methylquinoline-8-sulfonamide
CID 175843256
5-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 150303390
2-methoxy-4-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-5-methylbenzoic acid
CID 147517280
5-methoxy-N-[2-[2-(4-methyl-3-pyridinyl)ethynyl]phenyl]quinoline-8-sulfonamide
CID 175843075
methyl 4-[2-[2-[(4-chloroquinolin-8-yl)sulfonylamino]phenyl]ethynyl]isoquinoline-1-carboxylate
CID 148720493
[2-[2-(5-amino-6-methoxycarbonyl-3-pyridinyl)ethynyl]phenyl]-(7-methylquinolin-8-yl)sulfamic acid
CID 154941053
benzyl 5-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate
CID 151351772
5-ethyl-N-(7-methylquinolin-8-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide
CID 166357898
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate (CID 148844597) is methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate is COC(=O)c1cc(C)c(C#Cc2ccccc2NS(=O)(=O)c2c(C)ccc3cccnc23)cn1.
What is the InChIKey of methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate?
The InChIKey is OWFDMRWLBINNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4S/c1-17-10-11-20-8-6-14-27-24(20)25(17)34(31,32)29-22-9-5-4-7-19(22)12-13-21-16-28-23(15-18(21)2)26(30)33-3/h4-11,14-16,29H,1-3H3.
What are the key properties of methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate?
methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate has a molecular weight of 471.54 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate is sourced from PubChem (CID 148844597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).