2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

C18H19NO2 — CID 174510033

IUPAC2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESCOc1ccccc1-c1ccc2c(n1)CCC(C)C2C=O
InChIInChI=1S/C18H19NO2/c1-12-7-9-16-13(15(12)11-20)8-10-17(19-16)14-5-3-4-6-18(14)21-2/h3-6,8,10-12,15H,7,9H2,1-2H3
InChIKeyPOWLYAAHBKEGKS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde

2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (PubChem CID 174510033) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
PubChem CID174510033
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
SMILESCOc1ccccc1-c1ccc2c(n1)CCC(C)C2C=O
InChIInChI=1S/C18H19NO2/c1-12-7-9-16-13(15(12)11-20)8-10-17(19-16)14-5-3-4-6-18(14)21-2/h3-6,8,10-12,15H,7,9H2,1-2H3
InChIKeyPOWLYAAHBKEGKS-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
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

2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
3-[4-(2-methoxyphenyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 166248012
2-tert-butyl-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 116533920
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
[6-(2-methoxyphenyl)-2-pyridinyl]methanol
CID 24730094
2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134922
2-(2-methoxyphenyl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95808900
1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene
CID 167525299
2-(cyclopropylmethylamino)-6-(2-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 126475447
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The IUPAC name of 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde (CID 174510033) is 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The canonical SMILES for 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is COc1ccccc1-c1ccc2c(n1)CCC(C)C2C=O.
What is the InChIKey of 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
The InChIKey is POWLYAAHBKEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-9-16-13(15(12)11-20)8-10-17(19-16)14-5-3-4-6-18(14)21-2/h3-6,8,10-12,15H,7,9H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde?
2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-5-carbaldehyde is sourced from PubChem (CID 174510033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).