6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid

C18H23NO5 — CID 143454772

IUPAC6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(CCCCCOCCO)ccc21
InChIInChI=1S/C18H23NO5/c1-19-12-15(18(22)23)17(21)14-11-13(6-7-16(14)19)5-3-2-4-9-24-10-8-20/h6-7,11-12,20H,2-5,8-10H2,1H3,(H,22,23)
InChIKeyBJQFDPBEBVKCAL-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.96
Rot. Bonds9

About 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid

6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 143454772) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID143454772
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(CCCCCOCCO)ccc21
InChIInChI=1S/C18H23NO5/c1-19-12-15(18(22)23)17(21)14-11-13(6-7-16(14)19)5-3-2-4-9-24-10-8-20/h6-7,11-12,20H,2-5,8-10H2,1H3,(H,22,23)
InChIKeyBJQFDPBEBVKCAL-UHFFFAOYSA-N
XLogP1.96
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 143454772) is 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(CCCCCOCCO)ccc21.
What is the InChIKey of 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is BJQFDPBEBVKCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-19-12-15(18(22)23)17(21)14-11-13(6-7-16(14)19)5-3-2-4-9-24-10-8-20/h6-7,11-12,20H,2-5,8-10H2,1H3,(H,22,23).
What are the key properties of 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid?
6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-hydroxyethoxy)pentyl]-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143454772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).