7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde

C14H19NO2 — CID 23468234

IUPAC7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCC1CC(C)(C)N(C)c2cc(O)c(C=O)cc21
InChIInChI=1S/C14H19NO2/c1-9-7-14(2,3)15(4)12-6-13(17)10(8-16)5-11(9)12/h5-6,8-9,17H,7H2,1-4H3
InChIKeyRJXNFWFYOYFLIP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.93
Rot. Bonds1

About 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde

7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde (PubChem CID 23468234) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde
PubChem CID23468234
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCC1CC(C)(C)N(C)c2cc(O)c(C=O)cc21
InChIInChI=1S/C14H19NO2/c1-9-7-14(2,3)15(4)12-6-13(17)10(8-16)5-11(9)12/h5-6,8-9,17H,7H2,1-4H3
InChIKeyRJXNFWFYOYFLIP-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde?
The IUPAC name of 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde (CID 23468234) is 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde is CC1CC(C)(C)N(C)c2cc(O)c(C=O)cc21.
What is the InChIKey of 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde?
The InChIKey is RJXNFWFYOYFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-7-14(2,3)15(4)12-6-13(17)10(8-16)5-11(9)12/h5-6,8-9,17H,7H2,1-4H3.
What are the key properties of 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde?
7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 23468234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).