3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one

C20H18N4O2 — CID 130228284

IUPAC3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
SMILESCC(C)(O)c1ccc(-n2cc(-c3cc4ccccc4[nH]c3=O)nn2)cc1
InChIInChI=1S/C20H18N4O2/c1-20(2,26)14-7-9-15(10-8-14)24-12-18(22-23-24)16-11-13-5-3-4-6-17(13)21-19(16)25/h3-12,26H,1-2H3,(H,21,25)
InChIKeyYFLQZWBKPPMPPB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.00
Rot. Bonds3

About 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one

3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one (PubChem CID 130228284) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
PubChem CID130228284
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one
SMILESCC(C)(O)c1ccc(-n2cc(-c3cc4ccccc4[nH]c3=O)nn2)cc1
InChIInChI=1S/C20H18N4O2/c1-20(2,26)14-7-9-15(10-8-14)24-12-18(22-23-24)16-11-13-5-3-4-6-17(13)21-19(16)25/h3-12,26H,1-2H3,(H,21,25)
InChIKeyYFLQZWBKPPMPPB-UHFFFAOYSA-N
XLogP3.00
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one (CID 130228284) is 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one is CC(C)(O)c1ccc(-n2cc(-c3cc4ccccc4[nH]c3=O)nn2)cc1.
What is the InChIKey of 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one?
The InChIKey is YFLQZWBKPPMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-20(2,26)14-7-9-15(10-8-14)24-12-18(22-23-24)16-11-13-5-3-4-6-17(13)21-19(16)25/h3-12,26H,1-2H3,(H,21,25).
What are the key properties of 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one?
3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-hydroxypropan-2-yl)phenyl]triazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 130228284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).