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

C23H23N5O — CID 164621139

IUPAC5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Cn2ncc(-c3ccccc3)n2)c2cccnc12
InChIInChI=1S/C23H23N5O/c29-23-19(15-27-11-4-5-12-27)13-18(20-9-6-10-24-22(20)23)16-28-25-14-21(26-28)17-7-2-1-3-8-17/h1-3,6-10,13-14,29H,4-5,11-12,15-16H2
InChIKeyZGNSODQCUUFROP-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.84
Rot. Bonds5

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

5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (PubChem CID 164621139) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
PubChem CID164621139
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Cn2ncc(-c3ccccc3)n2)c2cccnc12
InChIInChI=1S/C23H23N5O/c29-23-19(15-27-11-4-5-12-27)13-18(20-9-6-10-24-22(20)23)16-28-25-14-21(26-28)17-7-2-1-3-8-17/h1-3,6-10,13-14,29H,4-5,11-12,15-16H2
InChIKeyZGNSODQCUUFROP-UHFFFAOYSA-N
XLogP3.84
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (CID 164621139) is 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCC2)cc(Cn2ncc(-c3ccccc3)n2)c2cccnc12.
What is the InChIKey of 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is ZGNSODQCUUFROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23-19(15-27-11-4-5-12-27)13-18(20-9-6-10-24-22(20)23)16-28-25-14-21(26-28)17-7-2-1-3-8-17/h1-3,6-10,13-14,29H,4-5,11-12,15-16H2.
What are the key properties of 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 385.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenyltriazol-2-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 164621139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).