5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid

C27H21N3O4S — CID 152516697

IUPAC5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid
SMILESC=C(C)c1cc(C(=O)O)ncc1C#Cc1ccccc1NS(=O)(=O)c1c(C)ccc2cccnc12
InChIInChI=1S/C27H21N3O4S/c1-17(2)22-15-24(27(31)32)29-16-21(22)13-12-19-7-4-5-9-23(19)30-35(33,34)26-18(3)10-11-20-8-6-14-28-25(20)26/h4-11,14-16,30H,1H2,2-3H3,(H,31,32)
InChIKeyYGQWKXNNFCQTOS-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.87
Rot. Bonds5

About 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid

5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid (PubChem CID 152516697) has the molecular formula C27H21N3O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid
PubChem CID152516697
Molecular FormulaC27H21N3O4S
Molecular Weight483.55 g/mol
Exact Mass483.13
IUPAC Name5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid
SMILESC=C(C)c1cc(C(=O)O)ncc1C#Cc1ccccc1NS(=O)(=O)c1c(C)ccc2cccnc12
InChIInChI=1S/C27H21N3O4S/c1-17(2)22-15-24(27(31)32)29-16-21(22)13-12-19-7-4-5-9-23(19)30-35(33,34)26-18(3)10-11-20-8-6-14-28-25(20)26/h4-11,14-16,30H,1H2,2-3H3,(H,31,32)
InChIKeyYGQWKXNNFCQTOS-UHFFFAOYSA-N
XLogP4.87
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid with MolForge

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Related Compounds

methyl 4-methyl-5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylate
CID 148844597
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-ethyl-N-(7-methylquinolin-8-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide
CID 166357898
5-[2-[5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-2-(quinolin-8-ylsulfonylamino)phenyl]ethynyl]pyridine-2-carboxylic acid
CID 167349926
(3-acetylphenyl) 7-methylquinoline-8-sulfonate
CID 75448226
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
N-[2-[2-(6-acetyl-3-pyridinyl)ethynyl]phenyl]-2,4-dichloroquinoline-8-sulfonamide
CID 154949052
5-methoxy-N-[2-[2-(4-methyl-3-pyridinyl)ethynyl]phenyl]quinoline-8-sulfonamide
CID 175843075

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid (CID 152516697) is 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid is C=C(C)c1cc(C(=O)O)ncc1C#Cc1ccccc1NS(=O)(=O)c1c(C)ccc2cccnc12.
What is the InChIKey of 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid?
The InChIKey is YGQWKXNNFCQTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4S/c1-17(2)22-15-24(27(31)32)29-16-21(22)13-12-19-7-4-5-9-23(19)30-35(33,34)26-18(3)10-11-20-8-6-14-28-25(20)26/h4-11,14-16,30H,1H2,2-3H3,(H,31,32).
What are the key properties of 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid?
5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid has a molecular weight of 483.55 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-prop-1-en-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 152516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).