1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride

C16H20ClNO2 — CID 82522241

IUPAC1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C16H20ClNO2/c17-15(19)13-10-11-6-4-5-9-14(11)18(16(13)20)12-7-2-1-3-8-12/h10,12H,1-9H2
InChIKeyRIZWKVLDWXDRDI-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.61
Rot. Bonds2

About 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride

1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride (PubChem CID 82522241) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride.

Molecular Properties

Compound Name1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
PubChem CID82522241
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride
SMILESO=C(Cl)c1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C16H20ClNO2/c17-15(19)13-10-11-6-4-5-9-14(11)18(16(13)20)12-7-2-1-3-8-12/h10,12H,1-9H2
InChIKeyRIZWKVLDWXDRDI-UHFFFAOYSA-N
XLogP3.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride?
The IUPAC name of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride (CID 82522241) is 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride.
What is the SMILES notation for 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride?
The canonical SMILES for 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride is O=C(Cl)c1cc2c(n(C3CCCCC3)c1=O)CCCC2.
What is the InChIKey of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride?
The InChIKey is RIZWKVLDWXDRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-15(19)13-10-11-6-4-5-9-14(11)18(16(13)20)12-7-2-1-3-8-12/h10,12H,1-9H2.
What are the key properties of 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride?
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride has a molecular weight of 293.79 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl chloride is sourced from PubChem (CID 82522241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).