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

C18H19NO — CID 102052144

IUPAC(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESC=C[C@H]1C[C@@H](c2ccccc2)Nc2ccc(OC)cc21
InChIInChI=1S/C18H19NO/c1-3-13-11-18(14-7-5-4-6-8-14)19-17-10-9-15(20-2)12-16(13)17/h3-10,12-13,18-19H,1,11H2,2H3/t13-,18-/m0/s1
InChIKeyCUZYFFBJRWEYGQ-UGSOOPFHSA-N
MW265.36 g/mol
LogP4.52
Rot. Bonds3

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

(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 102052144) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID102052144
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESC=C[C@H]1C[C@@H](c2ccccc2)Nc2ccc(OC)cc21
InChIInChI=1S/C18H19NO/c1-3-13-11-18(14-7-5-4-6-8-14)19-17-10-9-15(20-2)12-16(13)17/h3-10,12-13,18-19H,1,11H2,2H3/t13-,18-/m0/s1
InChIKeyCUZYFFBJRWEYGQ-UGSOOPFHSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole
CID 101491129
4,7-dimethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 71032679
(2S,4R)-6-methoxy-4-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 23237017
(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 99134947
(3aS,4S,9bR)-8-methoxy-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 15205800
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501
(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139837
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
(4S)-9-methoxy-4-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 101137503
(3aS,4S,9bR)-8-methoxy-2-methyl-4-phenyl-3a,4,5,9b-tetrahydrocyclopenta[c]quinolin-3-one
CID 122390233
(2S,3S)-5-methoxy-2,3-dimethyl-2,3-dihydro-1H-indole
CID 71486083

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 102052144) is (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline is C=C[C@H]1C[C@@H](c2ccccc2)Nc2ccc(OC)cc21.
What is the InChIKey of (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CUZYFFBJRWEYGQ-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-13-11-18(14-7-5-4-6-8-14)19-17-10-9-15(20-2)12-16(13)17/h3-10,12-13,18-19H,1,11H2,2H3/t13-,18-/m0/s1.
What are the key properties of (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline?
(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102052144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).