2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one

C15H17Cl2NO — CID 133219792

IUPAC2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one
SMILESCC1=CC(C)(C)N(C(=O)C(C)Cl)c2cc(Cl)ccc21
InChIInChI=1S/C15H17Cl2NO/c1-9-8-15(3,4)18(14(19)10(2)16)13-7-11(17)5-6-12(9)13/h5-8,10H,1-4H3
InChIKeyTVPGWDFNRNMVGW-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.50
Rot. Bonds1

About 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one

2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one (PubChem CID 133219792) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one
PubChem CID133219792
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one
SMILESCC1=CC(C)(C)N(C(=O)C(C)Cl)c2cc(Cl)ccc21
InChIInChI=1S/C15H17Cl2NO/c1-9-8-15(3,4)18(14(19)10(2)16)13-7-11(17)5-6-12(9)13/h5-8,10H,1-4H3
InChIKeyTVPGWDFNRNMVGW-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2,2,4,6,7-pentamethylquinolin-1-yl)propan-1-one
CID 3695084
(2R)-2-chloro-1-(2,2,4-trimethylquinolin-1-yl)propan-1-one
CID 944769
1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 698299
(2R)-2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-phenylethanone
CID 7299544
N-(3-chlorophenyl)-2,2,4,6-tetramethylquinoline-1-carboxamide
CID 737936
(2R)-2-(7-methoxy-2,2,4-trimethylquinolin-1-yl)propanoic acid
CID 125044616
2-chloro-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
CID 3370833
(2S)-1-acetyl-6-chloro-2-methyl-2-prop-2-enylindol-3-one
CID 122377583
2-[(2S)-1-oxo-3-phenyl-1-(2,2,4-trimethylquinolin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 1221173
1-(2,2,4-trimethylquinolin-1-yl)but-2-en-1-one
CID 3119210
2-(1-methyltetrazol-5-yl)sulfanyl-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
CID 16584732
2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
CID 3604045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one (CID 133219792) is 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one is CC1=CC(C)(C)N(C(=O)C(C)Cl)c2cc(Cl)ccc21.
What is the InChIKey of 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one?
The InChIKey is TVPGWDFNRNMVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-9-8-15(3,4)18(14(19)10(2)16)13-7-11(17)5-6-12(9)13/h5-8,10H,1-4H3.
What are the key properties of 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one?
2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one has a molecular weight of 298.21 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(7-chloro-2,2,4-trimethylquinolin-1-yl)propan-1-one is sourced from PubChem (CID 133219792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).