tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate

C14H17NO4 — CID 162399920

IUPACtert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(O)c2ccccc21
InChIInChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)11(16)8-12(15)17/h4-7,11,16H,8H2,1-3H3
InChIKeyQRWMXJDLDFUZTR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.39
Rot. Bonds

About tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate

tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate (PubChem CID 162399920) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate
PubChem CID162399920
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nametert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(O)c2ccccc21
InChIInChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)11(16)8-12(15)17/h4-7,11,16H,8H2,1-3H3
InChIKeyQRWMXJDLDFUZTR-UHFFFAOYSA-N
XLogP2.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate (CID 162399920) is tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC(O)c2ccccc21.
What is the InChIKey of tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate?
The InChIKey is QRWMXJDLDFUZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)11(16)8-12(15)17/h4-7,11,16H,8H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate?
tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-oxo-3,4-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 162399920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).