(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide

C23H23N3O — CID 73347555

IUPAC(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)[C@@](C)(c1ccccc1)C[C@H](c1ccc(O)cc1)N2
InChIInChI=1S/C23H23N3O/c1-23(17-5-3-2-4-6-17)14-21(15-7-10-18(27)11-8-15)26-20-12-9-16(22(24)25)13-19(20)23/h2-13,21,26-27H,14H2,1H3,(H3,24,25)/t21-,23-/m1/s1
InChIKeyOXFMSTZSZNVIGR-FYYLOGMGSA-N
MW357.46 g/mol
LogP4.54
Rot. Bonds3

About (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide

(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide (PubChem CID 73347555) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide.

Molecular Properties

Compound Name(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide
PubChem CID73347555
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)[C@@](C)(c1ccccc1)C[C@H](c1ccc(O)cc1)N2
InChIInChI=1S/C23H23N3O/c1-23(17-5-3-2-4-6-17)14-21(15-7-10-18(27)11-8-15)26-20-12-9-16(22(24)25)13-19(20)23/h2-13,21,26-27H,14H2,1H3,(H3,24,25)/t21-,23-/m1/s1
InChIKeyOXFMSTZSZNVIGR-FYYLOGMGSA-N
XLogP4.54
TPSA82.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

4-((4aS,5R,10bS)-9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
CID 11450574
4-(3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol
CID 2881805
(2R,4R)-2-(4-hydroxy-3-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-6-carboximidamide
CID 73346025
6-(3-Fluoro-4-hydroxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10271549
2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
CID 134839601
2-({[4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]imino}methyl)phenol
CID 4433179
4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenol
CID 17236411
6-(4-Hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10134580
6-(4-Hydroxynaphthalen-1-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10180378
6-(4-Hydroxy-3,5-dimethylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10272145
4-(9-tert-butyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
CID 11348318
3-[(2R,3R)-6-tert-butyl-3-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-2-yl]phenol
CID 11983217

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide?
The IUPAC name of (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide (CID 73347555) is (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide.
What is the SMILES notation for (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide?
The canonical SMILES for (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)[C@@](C)(c1ccccc1)C[C@H](c1ccc(O)cc1)N2.
What is the InChIKey of (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide?
The InChIKey is OXFMSTZSZNVIGR-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H23N3O/c1-23(17-5-3-2-4-6-17)14-21(15-7-10-18(27)11-8-15)26-20-12-9-16(22(24)25)13-19(20)23/h2-13,21,26-27H,14H2,1H3,(H3,24,25)/t21-,23-/m1/s1.
What are the key properties of (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide?
(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide has a molecular weight of 357.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide is sourced from PubChem (CID 73347555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).