2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride

C17H22ClNO2 — CID 82522240

IUPAC2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
SMILESO=C(Cl)Cc1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C17H22ClNO2/c18-16(20)11-13-10-12-6-4-5-9-15(12)19(17(13)21)14-7-2-1-3-8-14/h10,14H,1-9,11H2
InChIKeyOONXPWBFNOHWIE-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.54
Rot. Bonds3

About 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride

2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride (PubChem CID 82522240) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride.

Molecular Properties

Compound Name2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
PubChem CID82522240
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride
SMILESO=C(Cl)Cc1cc2c(n(C3CCCCC3)c1=O)CCCC2
InChIInChI=1S/C17H22ClNO2/c18-16(20)11-13-10-12-6-4-5-9-15(12)19(17(13)21)14-7-2-1-3-8-14/h10,14H,1-9,11H2
InChIKeyOONXPWBFNOHWIE-UHFFFAOYSA-N
XLogP3.54
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.54
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 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The IUPAC name of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride (CID 82522240) is 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride.
What is the SMILES notation for 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The canonical SMILES for 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride is O=C(Cl)Cc1cc2c(n(C3CCCCC3)c1=O)CCCC2.
What is the InChIKey of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
The InChIKey is OONXPWBFNOHWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c18-16(20)11-13-10-12-6-4-5-9-15(12)19(17(13)21)14-7-2-1-3-8-14/h10,14H,1-9,11H2.
What are the key properties of 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride?
2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride has a molecular weight of 307.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinolin-3-yl)acetyl chloride is sourced from PubChem (CID 82522240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).