2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid

C15H16N2O5 — CID 19698626

IUPAC2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid
SMILESCCCOc1ccc2nc(C(=O)NCC(=O)O)c(O)cc2c1
InChIInChI=1S/C15H16N2O5/c1-2-5-22-10-3-4-11-9(6-10)7-12(18)14(17-11)15(21)16-8-13(19)20/h3-4,6-7,18H,2,5,8H2,1H3,(H,16,21)(H,19,20)
InChIKeyRCFLWHKKLURFHO-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.54
Rot. Bonds6

About 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid

2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid (PubChem CID 19698626) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid
PubChem CID19698626
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid
SMILESCCCOc1ccc2nc(C(=O)NCC(=O)O)c(O)cc2c1
InChIInChI=1S/C15H16N2O5/c1-2-5-22-10-3-4-11-9(6-10)7-12(18)14(17-11)15(21)16-8-13(19)20/h3-4,6-7,18H,2,5,8H2,1H3,(H,16,21)(H,19,20)
InChIKeyRCFLWHKKLURFHO-UHFFFAOYSA-N
XLogP1.54
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(benzenesulfonyl)-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692194
2-[[6-[3-(cyclohexylcarbamoyl)phenoxy]-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692174
2-[[6-(4-chlorophenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid
CID 19692182
2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919842
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
2-[(7-butoxy-1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
CID 24780838
7-butoxy-3-hydroxynaphthalene-2-carboxylic acid
CID 20559604
2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carbonyl]amino]acetic acid
CID 146810072
2-(4-propoxyanilino)acetic acid
CID 15310375
2-[[3-hydroxy-5-[3-(4-methoxyphenoxy)prop-1-ynyl]pyridine-2-carbonyl]amino]acetic acid
CID 129027316
2-[[3-hydroxy-5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]pyridine-2-carbonyl]amino]acetic acid
CID 175268871
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid (CID 19698626) is 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid is CCCOc1ccc2nc(C(=O)NCC(=O)O)c(O)cc2c1.
What is the InChIKey of 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid?
The InChIKey is RCFLWHKKLURFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-2-5-22-10-3-4-11-9(6-10)7-12(18)14(17-11)15(21)16-8-13(19)20/h3-4,6-7,18H,2,5,8H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid?
2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-6-propoxyquinoline-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 19698626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).