8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde

C14H19NO2 — CID 22635202

IUPAC8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde
SMILESCOc1cc(C=O)cc2c1N(C)CCC2(C)C
InChIInChI=1S/C14H19NO2/c1-14(2)5-6-15(3)13-11(14)7-10(9-16)8-12(13)17-4/h7-9H,5-6H2,1-4H3
InChIKeyPWGKLJWGDYDWSF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.63
Rot. Bonds2

About 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde

8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde (PubChem CID 22635202) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde
PubChem CID22635202
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde
SMILESCOc1cc(C=O)cc2c1N(C)CCC2(C)C
InChIInChI=1S/C14H19NO2/c1-14(2)5-6-15(3)13-11(14)7-10(9-16)8-12(13)17-4/h7-9H,5-6H2,1-4H3
InChIKeyPWGKLJWGDYDWSF-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.63
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

3-Methoxy-4-(pyrrolidin-1-yl)benzaldehyde
CID 6500387
4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde
CID 2776404
4-Methoxy-N-methylacridin-9-one
CID 12374589
2,4-Dimethyl-7-pentanoyl-2H-1,4-benzoxazin-3(4H)-one
CID 3077700
4-(Dipropylamino)-3-methoxybenzaldehyde
CID 166632038
1-Hexyl-2,8-dimethoxy-quinolin-4-one
CID 5276280
8-methoxy-1-methylspiro[3H-quinoline-4,4'-cyclohexa-2,5-diene]-1',2-dione
CID 12188718
1-Benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-methoxy-3,4-dihydroquinolin-2-one
CID 126572980
2,3-Dihydro-8-methoxy-4(1H)-quinolinone
CID 23008901
1-(4-Methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68765251
5-Butyl-4-methoxy-3-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)phenanthridin-6-one
CID 71105547
6,7-Difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbaldehyde
CID 91576634

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde?
The IUPAC name of 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde (CID 22635202) is 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde is COc1cc(C=O)cc2c1N(C)CCC2(C)C.
What is the InChIKey of 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde?
The InChIKey is PWGKLJWGDYDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)5-6-15(3)13-11(14)7-10(9-16)8-12(13)17-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde?
8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,4,4-trimethyl-2,3-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 22635202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).