1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide

C26H20N6O2 — CID 146089762

IUPAC1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CN(C(=O)c3cc(-c4cccc5ccccc45)nc4ccccc34)C2)nn1
InChIInChI=1S/C26H20N6O2/c27-25(33)24-15-32(30-29-24)17-13-31(14-17)26(34)21-12-23(28-22-11-4-3-9-20(21)22)19-10-5-7-16-6-1-2-8-18(16)19/h1-12,15,17H,13-14H2,(H2,27,33)
InChIKeyBMVBHVXVZUAIMF-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide

1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide (PubChem CID 146089762) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide
PubChem CID146089762
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CN(C(=O)c3cc(-c4cccc5ccccc45)nc4ccccc34)C2)nn1
InChIInChI=1S/C26H20N6O2/c27-25(33)24-15-32(30-29-24)17-13-31(14-17)26(34)21-12-23(28-22-11-4-3-9-20(21)22)19-10-5-7-16-6-1-2-8-18(16)19/h1-12,15,17H,13-14H2,(H2,27,33)
InChIKeyBMVBHVXVZUAIMF-UHFFFAOYSA-N
XLogP3.44
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide (CID 146089762) is 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide is NC(=O)c1cn(C2CN(C(=O)c3cc(-c4cccc5ccccc45)nc4ccccc34)C2)nn1.
What is the InChIKey of 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide?
The InChIKey is BMVBHVXVZUAIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c27-25(33)24-15-32(30-29-24)17-13-31(14-17)26(34)21-12-23(28-22-11-4-3-9-20(21)22)19-10-5-7-16-6-1-2-8-18(16)19/h1-12,15,17H,13-14H2,(H2,27,33).
What are the key properties of 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide?
1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-naphthalen-1-ylquinoline-4-carbonyl)azetidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 146089762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).