2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

C19H15ClN2O6 — CID 118934617

IUPAC2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3Cl)cc21
InChIInChI=1S/C19H15ClN2O6/c1-22-13-8-10(28-14-5-3-2-4-12(14)20)6-7-11(13)17(25)16(19(22)27)18(26)21-9-15(23)24/h2-8,25H,9H2,1H3,(H,21,26)(H,23,24)
InChIKeyLHOARXWSUMAVHS-UHFFFAOYSA-N
MW402.79 g/mol
LogP2.50
Rot. Bonds5

About 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid

2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid (PubChem CID 118934617) has the molecular formula C19H15ClN2O6 and a molecular weight of 402.79 g/mol. Its IUPAC name is 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
PubChem CID118934617
Molecular FormulaC19H15ClN2O6
Molecular Weight402.79 g/mol
Exact Mass402.06
IUPAC Name2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3Cl)cc21
InChIInChI=1S/C19H15ClN2O6/c1-22-13-8-10(28-14-5-3-2-4-12(14)20)6-7-11(13)17(25)16(19(22)27)18(26)21-9-15(23)24/h2-8,25H,9H2,1H3,(H,21,26)(H,23,24)
InChIKeyLHOARXWSUMAVHS-UHFFFAOYSA-N
XLogP2.50
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.79
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid (CID 118934617) is 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3Cl)cc21.
What is the InChIKey of 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
The InChIKey is LHOARXWSUMAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O6/c1-22-13-8-10(28-14-5-3-2-4-12(14)20)6-7-11(13)17(25)16(19(22)27)18(26)21-9-15(23)24/h2-8,25H,9H2,1H3,(H,21,26)(H,23,24).
What are the key properties of 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid?
2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid has a molecular weight of 402.79 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-chlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 118934617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).