(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]

C24H22N4 — CID 10785134

IUPAC(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]
SMILESC[C@H]1N=NN(c2ccccc2)[C@]12C=C(c1ccccc1)c1ccccc1N2C
InChIInChI=1S/C24H22N4/c1-18-24(28(26-25-18)20-13-7-4-8-14-20)17-22(19-11-5-3-6-12-19)21-15-9-10-16-23(21)27(24)2/h3-18H,1-2H3/t18-,24-/m1/s1
InChIKeyHUWACFHHLFRYIT-HOYKHHGWSA-N
MW366.47 g/mol
LogP5.54
Rot. Bonds2

About (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]

(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline] (PubChem CID 10785134) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline].

Molecular Properties

Compound Name(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]
PubChem CID10785134
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]
SMILESC[C@H]1N=NN(c2ccccc2)[C@]12C=C(c1ccccc1)c1ccccc1N2C
InChIInChI=1S/C24H22N4/c1-18-24(28(26-25-18)20-13-7-4-8-14-20)17-22(19-11-5-3-6-12-19)21-15-9-10-16-23(21)27(24)2/h3-18H,1-2H3/t18-,24-/m1/s1
InChIKeyHUWACFHHLFRYIT-HOYKHHGWSA-N
XLogP5.54
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 150964602
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1,4-diphenyl-2-(trifluoromethyl)-2H-quinoline
CID 10405675
3-(bromoamino)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 89225778
5,5-dimethyl-2,3-diphenyl-1,2-thiazole 1-oxide
CID 13185263
1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
CID 174367478
(3S)-3-(tert-butylsulfanylmethyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 101375787
5-ethyl-5-methyl-7-phenyl-1,2-dihydropyrazolo[1,2-a][1,2]benzodiazepin-3-one
CID 155667583
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
5,6,6-trimethylphenanthridine
CID 153320066
aniline;1,2,2,4-tetramethylquinoline
CID 174979716
(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]
CID 101009388

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]?
The IUPAC name of (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline] (CID 10785134) is (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline].
What is the SMILES notation for (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]?
The canonical SMILES for (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline] is C[C@H]1N=NN(c2ccccc2)[C@]12C=C(c1ccccc1)c1ccccc1N2C.
What is the InChIKey of (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]?
The InChIKey is HUWACFHHLFRYIT-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H22N4/c1-18-24(28(26-25-18)20-13-7-4-8-14-20)17-22(19-11-5-3-6-12-19)21-15-9-10-16-23(21)27(24)2/h3-18H,1-2H3/t18-,24-/m1/s1.
What are the key properties of (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline]?
(4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline] has a molecular weight of 366.47 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1',4-dimethyl-1,4'-diphenylspiro[4H-triazole-5,2'-quinoline] is sourced from PubChem (CID 10785134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).