5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

C26H29N5O — CID 164609585

IUPAC5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESCC(C)c1ccc(-c2cnn(Cc3cc(CN4CCCC4)c(O)c4ncccc34)n2)cc1
InChIInChI=1S/C26H29N5O/c1-18(2)19-7-9-20(10-8-19)24-15-28-31(29-24)17-21-14-22(16-30-12-3-4-13-30)26(32)25-23(21)6-5-11-27-25/h5-11,14-15,18,32H,3-4,12-13,16-17H2,1-2H3
InChIKeyZHDOFWYGCFOOEM-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.97
Rot. Bonds6

About 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (PubChem CID 164609585) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
PubChem CID164609585
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESCC(C)c1ccc(-c2cnn(Cc3cc(CN4CCCC4)c(O)c4ncccc34)n2)cc1
InChIInChI=1S/C26H29N5O/c1-18(2)19-7-9-20(10-8-19)24-15-28-31(29-24)17-21-14-22(16-30-12-3-4-13-30)26(32)25-23(21)6-5-11-27-25/h5-11,14-15,18,32H,3-4,12-13,16-17H2,1-2H3
InChIKeyZHDOFWYGCFOOEM-UHFFFAOYSA-N
XLogP4.97
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-Dimethyl-8-quinolinol
CID 762732
5-(Methoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol
CID 689261
5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 3426979
5,5'-(2-(Pyrrolidin-1-yl)ethylazanediyl)bis(methylene)diquinolin-8-ol
CID 45112673
5-(((4-Isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 77108439
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 136180343
5-(Phenylsulfanylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 2883218
7-[[3-(Dimethylamino)pyrrolidin-1-yl]methyl]-5-(phenylmethoxymethyl)quinolin-8-ol
CID 44142071
5-(4-Methylphenyl)quinolin-8-ol
CID 145951510
1-[[8-Hydroxy-7-(pyrrolidin-1-ylmethyl)quinolin-5-yl]methyl]indole-5-carbonitrile
CID 145964758
5-[(5-Nitroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965674
5-(Indol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965949

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (CID 164609585) is 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is CC(C)c1ccc(-c2cnn(Cc3cc(CN4CCCC4)c(O)c4ncccc34)n2)cc1.
What is the InChIKey of 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is ZHDOFWYGCFOOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-18(2)19-7-9-20(10-8-19)24-15-28-31(29-24)17-21-14-22(16-30-12-3-4-13-30)26(32)25-23(21)6-5-11-27-25/h5-11,14-15,18,32H,3-4,12-13,16-17H2,1-2H3.
What are the key properties of 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 427.55 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 164609585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).