4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

C11H13NO2 — CID 54471711

IUPAC4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILES[2H]c1c(C=O)c(OC)nc2c1CCCC2
InChIInChI=1S/C11H13NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h6-7H,2-5H2,1H3/i6D
InChIKeyXIUSGWDZCGZUMD-RAMDWTOOSA-N
MW192.24 g/mol
LogP1.78
Rot. Bonds2

About 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (PubChem CID 54471711) has the molecular formula C11H13NO2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
PubChem CID54471711
Molecular FormulaC11H13NO2
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILES[2H]c1c(C=O)c(OC)nc2c1CCCC2
InChIInChI=1S/C11H13NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h6-7H,2-5H2,1H3/i6D
InChIKeyXIUSGWDZCGZUMD-RAMDWTOOSA-N
XLogP1.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.78
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

2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82415425
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
CID 163905685
5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-quinoline-3-carbaldehyde
CID 159500959
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 117273377
4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 105461530
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 89201048
O-phenyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-3-yl)carbamothioate
CID 54295662
2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde
CID 169246548
3-bromo-1-methoxy-5,6,7,8-tetrahydroisoquinoline
CID 154352348
S-phenyl N-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbamothioate
CID 19357149

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The IUPAC name of 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (CID 54471711) is 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.
What is the SMILES notation for 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The canonical SMILES for 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is [2H]c1c(C=O)c(OC)nc2c1CCCC2.
What is the InChIKey of 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The InChIKey is XIUSGWDZCGZUMD-RAMDWTOOSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h6-7H,2-5H2,1H3/i6D.
What are the key properties of 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde has a molecular weight of 192.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is sourced from PubChem (CID 54471711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).