2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate

C14H15NO3 — CID 827787

IUPAC2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(C)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15NO3/c1-9(2)8-18-14(17)11-7-13(16)15-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyCXQBGRCKZAIJLA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.34
Rot. Bonds3

About 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate

2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 827787) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID827787
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(C)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H15NO3/c1-9(2)8-18-14(17)11-7-13(16)15-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyCXQBGRCKZAIJLA-UHFFFAOYSA-N
XLogP2.34
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate (CID 827787) is 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate is CC(C)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is CXQBGRCKZAIJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)8-18-14(17)11-7-13(16)15-12-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate?
2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 827787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).