6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one

C16H17Cl2NO2 — CID 62033445

IUPAC6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one
SMILESCC(=O)CCCCOc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C16H17Cl2NO2/c1-10-6-7-12-13(17)9-14(18)16(15(12)19-10)21-8-4-3-5-11(2)20/h6-7,9H,3-5,8H2,1-2H3
InChIKeyIIGVOKMJDWWXNB-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.99
Rot. Bonds6

About 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one

6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one (PubChem CID 62033445) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one.

Molecular Properties

Compound Name6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one
PubChem CID62033445
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one
SMILESCC(=O)CCCCOc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C16H17Cl2NO2/c1-10-6-7-12-13(17)9-14(18)16(15(12)19-10)21-8-4-3-5-11(2)20/h6-7,9H,3-5,8H2,1-2H3
InChIKeyIIGVOKMJDWWXNB-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one?
The IUPAC name of 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one (CID 62033445) is 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one.
What is the SMILES notation for 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one?
The canonical SMILES for 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one is CC(=O)CCCCOc1c(Cl)cc(Cl)c2ccc(C)nc12.
What is the InChIKey of 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one?
The InChIKey is IIGVOKMJDWWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10-6-7-12-13(17)9-14(18)16(15(12)19-10)21-8-4-3-5-11(2)20/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one?
6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one has a molecular weight of 326.22 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one is sourced from PubChem (CID 62033445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).