2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline

C28H33NO3 — CID 25192337

IUPAC2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Oc1cc(OC)ccc1C
InChIInChI=1S/C28H33NO3/c1-6-19-10-8-11-20(7-2)27(19)23-17-26(31-5)28-22(29-23)12-9-13-24(28)32-25-16-21(30-4)15-14-18(25)3/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3
InChIKeyHYYZFCDIAFOHIL-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.66
Rot. Bonds7

About 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline

2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline (PubChem CID 25192337) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline
PubChem CID25192337
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Oc1cc(OC)ccc1C
InChIInChI=1S/C28H33NO3/c1-6-19-10-8-11-20(7-2)27(19)23-17-26(31-5)28-22(29-23)12-9-13-24(28)32-25-16-21(30-4)15-14-18(25)3/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3
InChIKeyHYYZFCDIAFOHIL-UHFFFAOYSA-N
XLogP6.66
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

CP-316311
CID 9818802
Pyridine, 3-ethyl-4-(1-ethylpropoxy)-6-methyl-2-(2,4,6-trimethylphenoxy)-
CID 9819381
4-[(1-Methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 9819482
2-(2,6-Dimethyl-4-propylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9820041
2-(4-Ethyl-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9927970
2-Methyl-4-(pentan-3-yloxy)-6-(2,4,6-trimethylphenoxy)pyridine
CID 21912127
4-(Butan-2-yloxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 21912152
2-(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)propan-2-ol
CID 21912239
2-[4-(Methoxymethyl)-2,6-dimethylphenoxy]-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912269
2-(2,6-Dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912293
6-Ethyl-3-methyl-4-(pentan-3-yloxy)-2-(2,4,6-trimethylphenoxy)pyridine
CID 21912341
(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)methanol
CID 21912450

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline (CID 25192337) is 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2Oc1cc(OC)ccc1C.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline?
The InChIKey is HYYZFCDIAFOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-6-19-10-8-11-20(7-2)27(19)23-17-26(31-5)28-22(29-23)12-9-13-24(28)32-25-16-21(30-4)15-14-18(25)3/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline?
2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline has a molecular weight of 431.58 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-methoxy-5-(5-methoxy-2-methylphenoxy)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 25192337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).