2-chloro-3,5,6,7-tetramethylquinoline

C13H14ClN — CID 146013311

IUPAC2-chloro-3,5,6,7-tetramethylquinoline
SMILESCc1cc2c(C)c(C)c(C)cc2nc1Cl
InChIInChI=1S/C13H14ClN/c1-7-6-12-11(10(4)9(7)3)5-8(2)13(14)15-12/h5-6H,1-4H3
InChIKeyVKRGQBKBKVVXRA-UHFFFAOYSA-N
MW219.71 g/mol
LogP4.12
Rot. Bonds

About 2-chloro-3,5,6,7-tetramethylquinoline

2-chloro-3,5,6,7-tetramethylquinoline (PubChem CID 146013311) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-chloro-3,5,6,7-tetramethylquinoline.

Molecular Properties

Compound Name2-chloro-3,5,6,7-tetramethylquinoline
PubChem CID146013311
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name2-chloro-3,5,6,7-tetramethylquinoline
SMILESCc1cc2c(C)c(C)c(C)cc2nc1Cl
InChIInChI=1S/C13H14ClN/c1-7-6-12-11(10(4)9(7)3)5-8(2)13(14)15-12/h5-6H,1-4H3
InChIKeyVKRGQBKBKVVXRA-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloro-3,5,6,7-tetramethylquinoline?
The IUPAC name of 2-chloro-3,5,6,7-tetramethylquinoline (CID 146013311) is 2-chloro-3,5,6,7-tetramethylquinoline.
What is the SMILES notation for 2-chloro-3,5,6,7-tetramethylquinoline?
The canonical SMILES for 2-chloro-3,5,6,7-tetramethylquinoline is Cc1cc2c(C)c(C)c(C)cc2nc1Cl.
What is the InChIKey of 2-chloro-3,5,6,7-tetramethylquinoline?
The InChIKey is VKRGQBKBKVVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-7-6-12-11(10(4)9(7)3)5-8(2)13(14)15-12/h5-6H,1-4H3.
What are the key properties of 2-chloro-3,5,6,7-tetramethylquinoline?
2-chloro-3,5,6,7-tetramethylquinoline has a molecular weight of 219.71 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5,6,7-tetramethylquinoline is sourced from PubChem (CID 146013311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).