2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid

C16H14N2O2S — CID 115284526

IUPAC2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cc(NC(C(=O)O)c2cccs2)c2ccccc2n1
InChIInChI=1S/C16H14N2O2S/c1-10-9-13(11-5-2-3-6-12(11)17-10)18-15(16(19)20)14-7-4-8-21-14/h2-9,15H,1H3,(H,17,18)(H,19,20)
InChIKeyMSVIMWOBSHSNQL-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.84
Rot. Bonds4

About 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid

2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284526) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284526
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cc(NC(C(=O)O)c2cccs2)c2ccccc2n1
InChIInChI=1S/C16H14N2O2S/c1-10-9-13(11-5-2-3-6-12(11)17-10)18-15(16(19)20)14-7-4-8-21-14/h2-9,15H,1H3,(H,17,18)(H,19,20)
InChIKeyMSVIMWOBSHSNQL-UHFFFAOYSA-N
XLogP3.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-(2,1-benzothiazol-3-ylamino)-2-thiophen-2-ylacetic acid
CID 113278699
(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 97068033
2-cyclopropyl-2-[(2-methylquinolin-4-yl)amino]acetic acid
CID 55107861
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
2-[(1-oxo-2H-isoquinolin-3-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284483
2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid (CID 115284526) is 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid is Cc1cc(NC(C(=O)O)c2cccs2)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is MSVIMWOBSHSNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-9-13(11-5-2-3-6-12(11)17-10)18-15(16(19)20)14-7-4-8-21-14/h2-9,15H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 298.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).