(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline

C24H25NO2 — CID 72715094

IUPAC(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc([C@@H]2c3cc(OC)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C24H25NO2/c1-16-23(17-9-11-19(26-2)12-10-17)21-15-20(27-3)13-14-22(21)25-24(16)18-7-5-4-6-8-18/h4-16,23-25H,1-3H3/t16-,23+,24-/m0/s1
InChIKeySJKWGHPDDCNDII-GHEQTVGYSA-N
MW359.47 g/mol
LogP5.64
Rot. Bonds4

About (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline

(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 72715094) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID72715094
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc([C@@H]2c3cc(OC)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C24H25NO2/c1-16-23(17-9-11-19(26-2)12-10-17)21-15-20(27-3)13-14-22(21)25-24(16)18-7-5-4-6-8-18/h4-16,23-25H,1-3H3/t16-,23+,24-/m0/s1
InChIKeySJKWGHPDDCNDII-GHEQTVGYSA-N
XLogP5.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 72715094) is (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline is COc1ccc([C@@H]2c3cc(OC)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SJKWGHPDDCNDII-GHEQTVGYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16-23(17-9-11-19(26-2)12-10-17)21-15-20(27-3)13-14-22(21)25-24(16)18-7-5-4-6-8-18/h4-16,23-25H,1-3H3/t16-,23+,24-/m0/s1.
What are the key properties of (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 359.47 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 72715094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).