1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid

C14H15NO6 — CID 82251138

IUPAC1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)cc(C(=O)O)n2CC(O)CO
InChIInChI=1S/C14H15NO6/c1-21-9-2-3-11-10(4-9)13(18)5-12(14(19)20)15(11)6-8(17)7-16/h2-5,8,16-17H,6-7H2,1H3,(H,19,20)
InChIKeyRUVKTBQQOMDGHB-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.06
Rot. Bonds5

About 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid

1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid (PubChem CID 82251138) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
PubChem CID82251138
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)cc(C(=O)O)n2CC(O)CO
InChIInChI=1S/C14H15NO6/c1-21-9-2-3-11-10(4-9)13(18)5-12(14(19)20)15(11)6-8(17)7-16/h2-5,8,16-17H,6-7H2,1H3,(H,19,20)
InChIKeyRUVKTBQQOMDGHB-UHFFFAOYSA-N
XLogP0.06
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249185
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
CID 2801572
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
CID 67150911

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid (CID 82251138) is 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid is COc1ccc2c(c1)c(=O)cc(C(=O)O)n2CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid?
The InChIKey is RUVKTBQQOMDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-21-9-2-3-11-10(4-9)13(18)5-12(14(19)20)15(11)6-8(17)7-16/h2-5,8,16-17H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid?
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82251138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).