1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

C16H13Cl2NO2 — CID 81109153

IUPAC1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2NO2/c17-12-3-1-4-13(18)11(12)9-19-14-5-2-6-15(20)10(14)7-8-16(19)21/h1,3-4,7-8H,2,5-6,9H2
InChIKeySBDZTHDYSVHRRI-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.72
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109153) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109153
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2NO2/c17-12-3-1-4-13(18)11(12)9-19-14-5-2-6-15(20)10(14)7-8-16(19)21/h1,3-4,7-8H,2,5-6,9H2
InChIKeySBDZTHDYSVHRRI-UHFFFAOYSA-N
XLogP3.72
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109153) is 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is SBDZTHDYSVHRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-12-3-1-4-13(18)11(12)9-19-14-5-2-6-15(20)10(14)7-8-16(19)21/h1,3-4,7-8H,2,5-6,9H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 322.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).