methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride

C11H14ClNO3 — CID 155973273

IUPACmethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(=O)c2c([nH]1)CCCC2.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9;/h6H,2-5H2,1H3,(H,12,13);1H
InChIKeyQLJZWFYUMXWEAI-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.46
Rot. Bonds1

About methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride

methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride (PubChem CID 155973273) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride
PubChem CID155973273
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Namemethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(=O)c2c([nH]1)CCCC2.Cl
InChIInChI=1S/C11H13NO3.ClH/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9;/h6H,2-5H2,1H3,(H,12,13);1H
InChIKeyQLJZWFYUMXWEAI-UHFFFAOYSA-N
XLogP1.46
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride (CID 155973273) is methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride is COC(=O)c1cc(=O)c2c([nH]1)CCCC2.Cl.
What is the InChIKey of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride?
The InChIKey is QLJZWFYUMXWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9;/h6H,2-5H2,1H3,(H,12,13);1H.
What are the key properties of methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride?
methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate;hydrochloride is sourced from PubChem (CID 155973273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).