2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide

C23H25N7O2 — CID 138525738

IUPAC2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCOCCNc1ccc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2n1
InChIInChI=1S/C23H25N7O2/c1-15(2)30-14-25-29-22(30)18-5-4-6-21(26-18)28-23(31)17-8-7-16-9-10-20(24-11-12-32-3)27-19(16)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,24,27)(H,26,28,31)
InChIKeyPQDIFAJFVTZPPE-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.78
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide

2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (PubChem CID 138525738) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
PubChem CID138525738
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCOCCNc1ccc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2n1
InChIInChI=1S/C23H25N7O2/c1-15(2)30-14-25-29-22(30)18-5-4-6-21(26-18)28-23(31)17-8-7-16-9-10-20(24-11-12-32-3)27-19(16)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,24,27)(H,26,28,31)
InChIKeyPQDIFAJFVTZPPE-UHFFFAOYSA-N
XLogP3.78
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (CID 138525738) is 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is COCCNc1ccc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2n1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The InChIKey is PQDIFAJFVTZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-15(2)30-14-25-29-22(30)18-5-4-6-21(26-18)28-23(31)17-8-7-16-9-10-20(24-11-12-32-3)27-19(16)13-17/h4-10,13-15H,11-12H2,1-3H3,(H,24,27)(H,26,28,31).
What are the key properties of 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 138525738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).