1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid

C14H19NO2 — CID 66490899

IUPAC1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCC1CC(C)(C)N(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H19NO2/c1-9-8-14(2,3)15(4)12-6-5-10(13(16)17)7-11(9)12/h5-7,9H,8H2,1-4H3,(H,16,17)
InChIKeyFCPKHKFYTLHJEJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.11
Rot. Bonds1

About 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid

1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 66490899) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID66490899
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCC1CC(C)(C)N(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H19NO2/c1-9-8-14(2,3)15(4)12-6-5-10(13(16)17)7-11(9)12/h5-7,9H,8H2,1-4H3,(H,16,17)
InChIKeyFCPKHKFYTLHJEJ-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid (CID 66490899) is 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid is CC1CC(C)(C)N(C)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is FCPKHKFYTLHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-8-14(2,3)15(4)12-6-5-10(13(16)17)7-11(9)12/h5-7,9H,8H2,1-4H3,(H,16,17).
What are the key properties of 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 66490899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).