2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid

C17H14N2O5S — CID 59340126

IUPAC2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3ccsc3)cc21
InChIInChI=1S/C17H14N2O5S/c1-19-12-6-9(10-4-5-25-8-10)2-3-11(12)15(22)14(17(19)24)16(23)18-7-13(20)21/h2-6,8,22H,7H2,1H3,(H,18,23)(H,20,21)
InChIKeyIOVWVVJXNYAZHE-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.79
Rot. Bonds4

About 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid (PubChem CID 59340126) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
PubChem CID59340126
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3ccsc3)cc21
InChIInChI=1S/C17H14N2O5S/c1-19-12-6-9(10-4-5-25-8-10)2-3-11(12)15(22)14(17(19)24)16(23)18-7-13(20)21/h2-6,8,22H,7H2,1H3,(H,18,23)(H,20,21)
InChIKeyIOVWVVJXNYAZHE-UHFFFAOYSA-N
XLogP1.79
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid (CID 59340126) is 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(-c3ccsc3)cc21.
What is the InChIKey of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is IOVWVVJXNYAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-19-12-6-9(10-4-5-25-8-10)2-3-11(12)15(22)14(17(19)24)16(23)18-7-13(20)21/h2-6,8,22H,7H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 358.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 59340126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).