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

C15H13ClN2O2 — CID 81108824

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1cccc(Cl)n1
InChIInChI=1S/C15H13ClN2O2/c16-14-6-1-3-10(17-14)9-18-12-4-2-5-13(19)11(12)7-8-15(18)20/h1,3,6-8H,2,4-5,9H2
InChIKeyZUERRGKBCOOCCH-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.46
Rot. Bonds2

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

1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108824) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108824
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1cccc(Cl)n1
InChIInChI=1S/C15H13ClN2O2/c16-14-6-1-3-10(17-14)9-18-12-4-2-5-13(19)11(12)7-8-15(18)20/h1,3,6-8H,2,4-5,9H2
InChIKeyZUERRGKBCOOCCH-UHFFFAOYSA-N
XLogP2.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108824) is 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2Cc1cccc(Cl)n1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is ZUERRGKBCOOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-6-1-3-10(17-14)9-18-12-4-2-5-13(19)11(12)7-8-15(18)20/h1,3,6-8H,2,4-5,9H2.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 288.73 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).