6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one

C16H17Cl2NO2 — CID 176655507

IUPAC6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
SMILESCOc1ccc2ncc(CC(=O)CCCCCl)c(Cl)c2c1
InChIInChI=1S/C16H17Cl2NO2/c1-21-13-5-6-15-14(9-13)16(18)11(10-19-15)8-12(20)4-2-3-7-17/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyLFUBZFRULYNZCM-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.42
Rot. Bonds7

About 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one

6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one (PubChem CID 176655507) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one.

Molecular Properties

Compound Name6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
PubChem CID176655507
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
SMILESCOc1ccc2ncc(CC(=O)CCCCCl)c(Cl)c2c1
InChIInChI=1S/C16H17Cl2NO2/c1-21-13-5-6-15-14(9-13)16(18)11(10-19-15)8-12(20)4-2-3-7-17/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyLFUBZFRULYNZCM-UHFFFAOYSA-N
XLogP4.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
CID 147949604
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
5-chloro-1-(2-chloro-5-methoxyphenyl)pentan-1-one
CID 146009620
4-chloro-6-methoxyquinoline-3-carbonitrile
CID 87839135
tert-butyl 4-[2-[3-(4-chloro-6-methoxyquinolin-3-yl)propylamino]-2-oxoethyl]piperidine-1-carboxylate
CID 143875929
1-chloro-4-ethyl-7-methoxyisoquinoline
CID 115063327
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
4-chloro-6-methoxycinnoline-3-carboxylic acid
CID 83898135
1-(7-methoxy-1-phenylnaphthalen-2-yl)heptan-2-one
CID 159161749

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one?
The IUPAC name of 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one (CID 176655507) is 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one.
What is the SMILES notation for 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one?
The canonical SMILES for 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one is COc1ccc2ncc(CC(=O)CCCCCl)c(Cl)c2c1.
What is the InChIKey of 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one?
The InChIKey is LFUBZFRULYNZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-21-13-5-6-15-14(9-13)16(18)11(10-19-15)8-12(20)4-2-3-7-17/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one?
6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one has a molecular weight of 326.22 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one is sourced from PubChem (CID 176655507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).