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

C23H23NO — CID 72715002

IUPAC(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C23H23NO/c1-16-22(17-12-14-19(25-2)15-13-17)20-10-6-7-11-21(20)24-23(16)18-8-4-3-5-9-18/h3-16,22-24H,1-2H3/t16-,22+,23-/m0/s1
InChIKeyWDMFRCAMGZSKPP-FNVCAUGXSA-N
MW329.44 g/mol
LogP5.63
Rot. Bonds3

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

(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 72715002) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID72715002
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C23H23NO/c1-16-22(17-12-14-19(25-2)15-13-17)20-10-6-7-11-21(20)24-23(16)18-8-4-3-5-9-18/h3-16,22-24H,1-2H3/t16-,22+,23-/m0/s1
InChIKeyWDMFRCAMGZSKPP-FNVCAUGXSA-N
XLogP5.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 72715002) is (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline is COc1ccc([C@@H]2c3ccccc3N[C@H](c3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WDMFRCAMGZSKPP-FNVCAUGXSA-N. The full InChI is InChI=1S/C23H23NO/c1-16-22(17-12-14-19(25-2)15-13-17)20-10-6-7-11-21(20)24-23(16)18-8-4-3-5-9-18/h3-16,22-24H,1-2H3/t16-,22+,23-/m0/s1.
What are the key properties of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 329.44 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 72715002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).