4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde

C12H13NO2 — CID 163861362

IUPAC4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde
SMILESCOC1(C)CC=Nc2ccc(C=O)cc21
InChIInChI=1S/C12H13NO2/c1-12(15-2)5-6-13-11-4-3-9(8-14)7-10(11)12/h3-4,6-8H,5H2,1-2H3
InChIKeyPCUWINPDZLRZMP-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.47
Rot. Bonds2

About 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde

4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde (PubChem CID 163861362) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde
PubChem CID163861362
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde
SMILESCOC1(C)CC=Nc2ccc(C=O)cc21
InChIInChI=1S/C12H13NO2/c1-12(15-2)5-6-13-11-4-3-9(8-14)7-10(11)12/h3-4,6-8H,5H2,1-2H3
InChIKeyPCUWINPDZLRZMP-UHFFFAOYSA-N
XLogP2.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,8S,15S)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene-4,11,18-tricarbaldehyde
CID 71560741
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
3,3-dimethyl-1H-2-benzofuran-5-carbaldehyde
CID 86639542
3,3-dimethyl-2H-1-benzofuran-5-carbaldehyde
CID 20536180
9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
CID 14334392
3a,4,4-trimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole-6-carbaldehyde
CID 122204762
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 91108589
1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6-carbaldehyde
CID 154180598
2-methyl-4-oxo-3H-quinoline-6-carbaldehyde
CID 86745775
5,5,9b-trimethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene-7-carbaldehyde
CID 89332705
1H-indole-6-carbaldehyde;methoxymethane
CID 142993125

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde?
The IUPAC name of 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde (CID 163861362) is 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde.
What is the SMILES notation for 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde?
The canonical SMILES for 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde is COC1(C)CC=Nc2ccc(C=O)cc21.
What is the InChIKey of 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde?
The InChIKey is PCUWINPDZLRZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(15-2)5-6-13-11-4-3-9(8-14)7-10(11)12/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde?
4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-3H-quinoline-6-carbaldehyde is sourced from PubChem (CID 163861362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).