2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline

C14H21N — CID 3142211

IUPAC2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc2c(cc1C)C(C)CC(C)(C)N2
InChIInChI=1S/C14H21N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-7,11,15H,8H2,1-5H3
InChIKeyZHYQUVAZTCEITH-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.00
Rot. Bonds

About 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline

2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline (PubChem CID 3142211) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline
PubChem CID3142211
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc2c(cc1C)C(C)CC(C)(C)N2
InChIInChI=1S/C14H21N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-7,11,15H,8H2,1-5H3
InChIKeyZHYQUVAZTCEITH-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline (CID 3142211) is 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline is Cc1cc2c(cc1C)C(C)CC(C)(C)N2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline?
The InChIKey is ZHYQUVAZTCEITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-9-6-12-11(3)8-14(4,5)15-13(12)7-10(9)2/h6-7,11,15H,8H2,1-5H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline?
2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline has a molecular weight of 203.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 3142211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).