2,2,8-trimethyl-1H-quinoline-3-carbaldehyde

C13H15NO — CID 53381464

IUPAC2,2,8-trimethyl-1H-quinoline-3-carbaldehyde
SMILESCc1cccc2c1NC(C)(C)C(C=O)=C2
InChIInChI=1S/C13H15NO/c1-9-5-4-6-10-7-11(8-15)13(2,3)14-12(9)10/h4-8,14H,1-3H3
InChIKeyFYRLQOAPKWYVRQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.78
Rot. Bonds1

About 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde

2,2,8-trimethyl-1H-quinoline-3-carbaldehyde (PubChem CID 53381464) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2,2,8-trimethyl-1H-quinoline-3-carbaldehyde
PubChem CID53381464
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,2,8-trimethyl-1H-quinoline-3-carbaldehyde
SMILESCc1cccc2c1NC(C)(C)C(C=O)=C2
InChIInChI=1S/C13H15NO/c1-9-5-4-6-10-7-11(8-15)13(2,3)14-12(9)10/h4-8,14H,1-3H3
InChIKeyFYRLQOAPKWYVRQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylbenzaldehyde
CID 159545887
8-methyl-2H-chromene-3-carbaldehyde
CID 101185474
2-amino-6-methylbenzaldehyde
CID 23046538
3,4,8-trimethylazulene-1-carbaldehyde
CID 23256998
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581
3-(2,6-dimethylphenyl)propanal
CID 73014071
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 102493581
8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
CID 115017507
4-methyl-2,3-dihydro-1,3-benzoxazole-2-carbaldehyde
CID 174460097
(2R)-2,5-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 100953485
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869

Frequently Asked Questions

What is the IUPAC name of 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde?
The IUPAC name of 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde (CID 53381464) is 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde is Cc1cccc2c1NC(C)(C)C(C=O)=C2.
What is the InChIKey of 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde?
The InChIKey is FYRLQOAPKWYVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-5-4-6-10-7-11(8-15)13(2,3)14-12(9)10/h4-8,14H,1-3H3.
What are the key properties of 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde?
2,2,8-trimethyl-1H-quinoline-3-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 53381464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).