(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one

C15H18ClNO — CID 944769

IUPAC(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one
SMILESCC1=CC(C)(C)N(C(=O)[C@@H](C)Cl)c2ccccc21
InChIInChI=1S/C15H18ClNO/c1-10-9-15(3,4)17(14(18)11(2)16)13-8-6-5-7-12(10)13/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeySLJPLIOXZQBWTK-LLVKDONJSA-N
MW263.77 g/mol
LogP3.84
Rot. Bonds1

About (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one

(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one (PubChem CID 944769) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one
PubChem CID944769
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one
SMILESCC1=CC(C)(C)N(C(=O)[C@@H](C)Cl)c2ccccc21
InChIInChI=1S/C15H18ClNO/c1-10-9-15(3,4)17(14(18)11(2)16)13-8-6-5-7-12(10)13/h5-9,11H,1-4H3/t11-/m1/s1
InChIKeySLJPLIOXZQBWTK-LLVKDONJSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.84
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 (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one (CID 944769) is (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one is CC1=CC(C)(C)N(C(=O)[C@@H](C)Cl)c2ccccc21.
What is the InChIKey of (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one?
The InChIKey is SLJPLIOXZQBWTK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10-9-15(3,4)17(14(18)11(2)16)13-8-6-5-7-12(10)13/h5-9,11H,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one?
(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one has a molecular weight of 263.77 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one is sourced from PubChem (CID 944769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).