6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one

C15H20ClNO — CID 55177038

IUPAC6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCCC(Cl)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H20ClNO/c1-3-4-5-13(16)11-6-8-14-12(10-11)7-9-15(18)17(14)2/h6,8,10,13H,3-5,7,9H2,1-2H3
InChIKeyHQWRSUPLGOVOOA-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.07
Rot. Bonds4

About 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 55177038) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID55177038
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCCC(Cl)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C15H20ClNO/c1-3-4-5-13(16)11-6-8-14-12(10-11)7-9-15(18)17(14)2/h6,8,10,13H,3-5,7,9H2,1-2H3
InChIKeyHQWRSUPLGOVOOA-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 55177038) is 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one is CCCCC(Cl)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is HQWRSUPLGOVOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-4-5-13(16)11-6-8-14-12(10-11)7-9-15(18)17(14)2/h6,8,10,13H,3-5,7,9H2,1-2H3.
What are the key properties of 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 265.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 55177038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).