(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone

C23H21N5O — CID 121150011

IUPAC(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2cccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)c2n1
InChIInChI=1S/C23H21N5O/c1-16-10-11-18-8-5-9-20(22(18)24-16)23(29)27-13-12-19(14-27)28-15-21(25-26-28)17-6-3-2-4-7-17/h2-11,15,19H,12-14H2,1H3
InChIKeyKEVUVJRUUKQNEX-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.89
Rot. Bonds3

About (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone

(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150011) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150011
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2cccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)c2n1
InChIInChI=1S/C23H21N5O/c1-16-10-11-18-8-5-9-20(22(18)24-16)23(29)27-13-12-19(14-27)28-15-21(25-26-28)17-6-3-2-4-7-17/h2-11,15,19H,12-14H2,1H3
InChIKeyKEVUVJRUUKQNEX-UHFFFAOYSA-N
XLogP3.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone 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

naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
3-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 86264912
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
(7-methoxy-1-benzofuran-2-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 86264913
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 99986548
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150011) is (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is Cc1ccc2cccc(C(=O)N3CCC(n4cc(-c5ccccc5)nn4)C3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KEVUVJRUUKQNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-10-11-18-8-5-9-20(22(18)24-16)23(29)27-13-12-19(14-27)28-15-21(25-26-28)17-6-3-2-4-7-17/h2-11,15,19H,12-14H2,1H3.
What are the key properties of (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone?
(2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 383.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).