4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid

C15H17NO4 — CID 151487870

IUPAC4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid
SMILESCC(C)CCn1c(=O)cc(O)c2c(C(=O)O)cccc21
InChIInChI=1S/C15H17NO4/c1-9(2)6-7-16-11-5-3-4-10(15(19)20)14(11)12(17)8-13(16)18/h3-5,8-9,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyPNVMBSOVYFWUOE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.45
Rot. Bonds4

About 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid

4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid (PubChem CID 151487870) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid
PubChem CID151487870
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid
SMILESCC(C)CCn1c(=O)cc(O)c2c(C(=O)O)cccc21
InChIInChI=1S/C15H17NO4/c1-9(2)6-7-16-11-5-3-4-10(15(19)20)14(11)12(17)8-13(16)18/h3-5,8-9,17H,6-7H2,1-2H3,(H,19,20)
InChIKeyPNVMBSOVYFWUOE-UHFFFAOYSA-N
XLogP2.45
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutyl)-2-oxoquinoline-4-carboxylic acid
CID 10015416
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543581
2-tert-butyl-3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 115932790
1-(3-hydroxypropyl)-2-methyl-3-propan-2-ylindole-4-carboxylic acid
CID 83964043
1-(3-aminopropyl)-2-methyl-3-propan-2-ylindole-4-carboxylic acid
CID 83964053
1-(2-methylsulfanylethyl)-2-oxoquinoline-4-carboxylic acid
CID 113473792
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1-(3-methylbutyl)-2-oxoquinoline-4-carboxylate
CID 10022793
1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113332174
3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 112577077
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
3-(1-fluoroethyl)-1-methylindole-4-carboxylic acid
CID 84686515

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid (CID 151487870) is 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid is CC(C)CCn1c(=O)cc(O)c2c(C(=O)O)cccc21.
What is the InChIKey of 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid?
The InChIKey is PNVMBSOVYFWUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)6-7-16-11-5-3-4-10(15(19)20)14(11)12(17)8-13(16)18/h3-5,8-9,17H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid?
4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-5-carboxylic acid is sourced from PubChem (CID 151487870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).