8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid

C13H12BrNO4 — CID 82213037

IUPAC8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(ccc(=O)n2CCCO)c1
InChIInChI=1S/C13H12BrNO4/c14-10-7-9(13(18)19)6-8-2-3-11(17)15(12(8)10)4-1-5-16/h2-3,6-7,16H,1,4-5H2,(H,18,19)
InChIKeyUIUZVXQNGVNRIV-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.84
Rot. Bonds4

About 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid

8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid (PubChem CID 82213037) has the molecular formula C13H12BrNO4 and a molecular weight of 326.15 g/mol. Its IUPAC name is 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
PubChem CID82213037
Molecular FormulaC13H12BrNO4
Molecular Weight326.15 g/mol
Exact Mass324.99
IUPAC Name8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
SMILESO=C(O)c1cc(Br)c2c(ccc(=O)n2CCCO)c1
InChIInChI=1S/C13H12BrNO4/c14-10-7-9(13(18)19)6-8-2-3-11(17)15(12(8)10)4-1-5-16/h2-3,6-7,16H,1,4-5H2,(H,18,19)
InChIKeyUIUZVXQNGVNRIV-UHFFFAOYSA-N
XLogP1.84
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
CID 82213036
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213077
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
CID 94947485
7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
CID 118936660
1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
CID 117099745
2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid
CID 117099724
1-(2-amino-2-oxoethyl)-2-oxo-8-propan-2-ylquinoline-6-carboxylic acid
CID 82213114
2-oxo-8-propan-2-yl-1-prop-2-enylquinoline-6-carboxylic acid
CID 82213115
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983
1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid
CID 82213109
8-chloro-1-(2-hydrazinyl-2-oxoethyl)-2-oxoquinoline-6-carboxylic acid
CID 82212970
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid (CID 82213037) is 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid is O=C(O)c1cc(Br)c2c(ccc(=O)n2CCCO)c1.
What is the InChIKey of 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid?
The InChIKey is UIUZVXQNGVNRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4/c14-10-7-9(13(18)19)6-8-2-3-11(17)15(12(8)10)4-1-5-16/h2-3,6-7,16H,1,4-5H2,(H,18,19).
What are the key properties of 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid?
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid has a molecular weight of 326.15 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82213037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).