2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde

C13H17NO — CID 18937828

IUPAC2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
SMILESCC1CC(C)(C)Nc2ccc(C=O)cc21
InChIInChI=1S/C13H17NO/c1-9-7-13(2,3)14-12-5-4-10(8-15)6-11(9)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyIMRSDESZEVPIMT-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.20
Rot. Bonds1

About 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde

2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde (PubChem CID 18937828) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
PubChem CID18937828
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
SMILESCC1CC(C)(C)Nc2ccc(C=O)cc21
InChIInChI=1S/C13H17NO/c1-9-7-13(2,3)14-12-5-4-10(8-15)6-11(9)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyIMRSDESZEVPIMT-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde?
The IUPAC name of 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde (CID 18937828) is 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde.
What is the SMILES notation for 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde?
The canonical SMILES for 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde is CC1CC(C)(C)Nc2ccc(C=O)cc21.
What is the InChIKey of 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde?
The InChIKey is IMRSDESZEVPIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-7-13(2,3)14-12-5-4-10(8-15)6-11(9)12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde?
2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde has a molecular weight of 203.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde is sourced from PubChem (CID 18937828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).