(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide

C23H23N3O2 — CID 73346025

IUPAC(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](c1ccc(O)c(OC)c1)N2
InChIInChI=1S/C23H23N3O2/c1-28-22-12-15(8-10-21(22)27)20-13-17(14-5-3-2-4-6-14)18-11-16(23(24)25)7-9-19(18)26-20/h2-12,17,20,26-27H,13H2,1H3,(H3,24,25)/t17-,20-/m1/s1
InChIKeyTYTZMIYQVOBRMU-YLJYHZDGSA-N
MW373.46 g/mol
LogP4.37
Rot. Bonds4

About (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide

(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide (PubChem CID 73346025) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide.

Molecular Properties

Compound Name(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide
PubChem CID73346025
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](c1ccc(O)c(OC)c1)N2
InChIInChI=1S/C23H23N3O2/c1-28-22-12-15(8-10-21(22)27)20-13-17(14-5-3-2-4-6-14)18-11-16(23(24)25)7-9-19(18)26-20/h2-12,17,20,26-27H,13H2,1H3,(H3,24,25)/t17-,20-/m1/s1
InChIKeyTYTZMIYQVOBRMU-YLJYHZDGSA-N
XLogP4.37
TPSA91.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-hydroxy-4-methoxyphenyl]benzoic acid
CID 71580813
4-((4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)benzene-1,2-diol
CID 46881993
2-[(1R,4aS,8aS)-4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 666136
(6R,6aR,11bR)-6-(4-hydroxy-3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 9821506
3-[2-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-hydroxy-4-methoxyphenyl]benzoic acid
CID 71580892
10-amino-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 156012196
2,3-Dimethoxy-5,6,6a,7,12,12a-hexahydrobenzo[a]acridine-9,10-diol
CID 162658719
1-(4-hydroxy-3-methoxybenzyl)-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide
CID 26321068
(2S,3S,4R)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinoline-8-carbonitrile
CID 72715096
(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide
CID 73347555
(2S,3S,4R)-4-(4-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-8-carbonitrile
CID 73350756
(2S,3S,4R)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline-8-carbonitrile
CID 73353718

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide?
The IUPAC name of (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide (CID 73346025) is (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide.
What is the SMILES notation for (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide?
The canonical SMILES for (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](c1ccc(O)c(OC)c1)N2.
What is the InChIKey of (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide?
The InChIKey is TYTZMIYQVOBRMU-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-22-12-15(8-10-21(22)27)20-13-17(14-5-3-2-4-6-14)18-11-16(23(24)25)7-9-19(18)26-20/h2-12,17,20,26-27H,13H2,1H3,(H3,24,25)/t17-,20-/m1/s1.
What are the key properties of (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide?
(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide has a molecular weight of 373.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide is sourced from PubChem (CID 73346025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).