(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]

C19H20N4 — CID 101009388

IUPAC(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]
SMILESCN1c2ccccc2C=C[C@]12N(c1ccccc1)N=NC2(C)C
InChIInChI=1S/C19H20N4/c1-18(2)19(23(21-20-18)16-10-5-4-6-11-16)14-13-15-9-7-8-12-17(15)22(19)3/h4-14H,1-3H3/t19-/m1/s1
InChIKeyVIYLJPOVKPIDQX-LJQANCHMSA-N
MW304.40 g/mol
LogP4.51
Rot. Bonds1

About (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]

(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole] (PubChem CID 101009388) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole].

Molecular Properties

Compound Name(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]
PubChem CID101009388
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]
SMILESCN1c2ccccc2C=C[C@]12N(c1ccccc1)N=NC2(C)C
InChIInChI=1S/C19H20N4/c1-18(2)19(23(21-20-18)16-10-5-4-6-11-16)14-13-15-9-7-8-12-17(15)22(19)3/h4-14H,1-3H3/t19-/m1/s1
InChIKeyVIYLJPOVKPIDQX-LJQANCHMSA-N
XLogP4.51
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]?
The IUPAC name of (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole] (CID 101009388) is (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole].
What is the SMILES notation for (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]?
The canonical SMILES for (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole] is CN1c2ccccc2C=C[C@]12N(c1ccccc1)N=NC2(C)C.
What is the InChIKey of (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]?
The InChIKey is VIYLJPOVKPIDQX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N4/c1-18(2)19(23(21-20-18)16-10-5-4-6-11-16)14-13-15-9-7-8-12-17(15)22(19)3/h4-14H,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole]?
(2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole] has a molecular weight of 304.40 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4',4'-trimethyl-1'-phenylspiro[quinoline-2,5'-triazole] is sourced from PubChem (CID 101009388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).