7-chloro-2,2,4,8-tetramethyl-1H-quinoline

C13H16ClN — CID 53418902

IUPAC7-chloro-2,2,4,8-tetramethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c1ccc(Cl)c2C
InChIInChI=1S/C13H16ClN/c1-8-7-13(3,4)15-12-9(2)11(14)6-5-10(8)12/h5-7,15H,1-4H3
InChIKeyCBHIGFLCKFTNPN-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.26
Rot. Bonds

About 7-chloro-2,2,4,8-tetramethyl-1H-quinoline

7-chloro-2,2,4,8-tetramethyl-1H-quinoline (PubChem CID 53418902) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 7-chloro-2,2,4,8-tetramethyl-1H-quinoline.

Molecular Properties

Compound Name7-chloro-2,2,4,8-tetramethyl-1H-quinoline
PubChem CID53418902
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name7-chloro-2,2,4,8-tetramethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c1ccc(Cl)c2C
InChIInChI=1S/C13H16ClN/c1-8-7-13(3,4)15-12-9(2)11(14)6-5-10(8)12/h5-7,15H,1-4H3
InChIKeyCBHIGFLCKFTNPN-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2,4,8-tetramethyl-1H-quinoline?
The IUPAC name of 7-chloro-2,2,4,8-tetramethyl-1H-quinoline (CID 53418902) is 7-chloro-2,2,4,8-tetramethyl-1H-quinoline.
What is the SMILES notation for 7-chloro-2,2,4,8-tetramethyl-1H-quinoline?
The canonical SMILES for 7-chloro-2,2,4,8-tetramethyl-1H-quinoline is CC1=CC(C)(C)Nc2c1ccc(Cl)c2C.
What is the InChIKey of 7-chloro-2,2,4,8-tetramethyl-1H-quinoline?
The InChIKey is CBHIGFLCKFTNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-8-7-13(3,4)15-12-9(2)11(14)6-5-10(8)12/h5-7,15H,1-4H3.
What are the key properties of 7-chloro-2,2,4,8-tetramethyl-1H-quinoline?
7-chloro-2,2,4,8-tetramethyl-1H-quinoline has a molecular weight of 221.73 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2,4,8-tetramethyl-1H-quinoline is sourced from PubChem (CID 53418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).