7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol

C25H19N3O — CID 11728555

IUPAC7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol
SMILESOc1c(Cc2cc(-c3ccccc3)nn2-c2ccccc2)ccc2cccnc12
InChIInChI=1S/C25H19N3O/c29-25-20(14-13-19-10-7-15-26-24(19)25)16-22-17-23(18-8-3-1-4-9-18)27-28(22)21-11-5-2-6-12-21/h1-15,17,29H,16H2
InChIKeyBJYXYXZNSRHZHK-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.38
Rot. Bonds4

About 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol

7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol (PubChem CID 11728555) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol
PubChem CID11728555
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol
SMILESOc1c(Cc2cc(-c3ccccc3)nn2-c2ccccc2)ccc2cccnc12
InChIInChI=1S/C25H19N3O/c29-25-20(14-13-19-10-7-15-26-24(19)25)16-22-17-23(18-8-3-1-4-9-18)27-28(22)21-11-5-2-6-12-21/h1-15,17,29H,16H2
InChIKeyBJYXYXZNSRHZHK-UHFFFAOYSA-N
XLogP5.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
5-(4-Methylphenylazo)-8-hydroxyquinoline
CID 208719
5-(Phenylazo)-8-hydroxyquinoline
CID 199506
7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3384730
7-[Morpholin-4-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 2999043
5-(Phenylmethyl)-8-quinolinol
CID 81403
8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-
CID 166430
GNF-Pf-3485
CID 2904976
7-[(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 3878766
7-[Piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
CID 3861919
(5E)-5-[[2-(trifluoromethyl)phenyl]hydrazinylidene]quinolin-8-one
CID 4057115
8-Quinolinol, 5-nitro-7-(1-pyrrolidinylmethyl)-
CID 150800

Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol (CID 11728555) is 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol is Oc1c(Cc2cc(-c3ccccc3)nn2-c2ccccc2)ccc2cccnc12.
What is the InChIKey of 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol?
The InChIKey is BJYXYXZNSRHZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c29-25-20(14-13-19-10-7-15-26-24(19)25)16-22-17-23(18-8-3-1-4-9-18)27-28(22)21-11-5-2-6-12-21/h1-15,17,29H,16H2.
What are the key properties of 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol?
7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol has a molecular weight of 377.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-diphenylpyrazol-5-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 11728555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).