1-decyl-4-oxoquinoline-3-carboxylic acid

C20H27NO3 — CID 155537578

IUPAC1-decyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCCCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-11-14-21-15-17(20(23)24)19(22)16-12-9-10-13-18(16)21/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,23,24)
InChIKeyHJROLQBJKWRGKR-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.84
Rot. Bonds10

About 1-decyl-4-oxoquinoline-3-carboxylic acid

1-decyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 155537578) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-decyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-decyl-4-oxoquinoline-3-carboxylic acid
PubChem CID155537578
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-decyl-4-oxoquinoline-3-carboxylic acid
SMILESCCCCCCCCCCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-11-14-21-15-17(20(23)24)19(22)16-12-9-10-13-18(16)21/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,23,24)
InChIKeyHJROLQBJKWRGKR-UHFFFAOYSA-N
XLogP4.84
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-decyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-decyl-4-oxoquinoline-3-carboxylic acid (CID 155537578) is 1-decyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-decyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-decyl-4-oxoquinoline-3-carboxylic acid is CCCCCCCCCCn1cc(C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 1-decyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HJROLQBJKWRGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-11-14-21-15-17(20(23)24)19(22)16-12-9-10-13-18(16)21/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,23,24).
What are the key properties of 1-decyl-4-oxoquinoline-3-carboxylic acid?
1-decyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 155537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).