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

C24H25N7O2 — CID 138525683

IUPAC2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CCOCC4)nc3c2)n1
InChIInChI=1S/C24H25N7O2/c1-16(2)31-15-25-29-23(31)19-4-3-5-21(26-19)28-24(32)18-7-6-17-8-9-22(27-20(17)14-18)30-10-12-33-13-11-30/h3-9,14-16H,10-13H2,1-2H3,(H,26,28,32)
InChIKeyWMXKAPGVTJWFOL-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.56
Rot. Bonds5

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

2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (PubChem CID 138525683) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
PubChem CID138525683
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CCOCC4)nc3c2)n1
InChIInChI=1S/C24H25N7O2/c1-16(2)31-15-25-29-23(31)19-4-3-5-21(26-19)28-24(32)18-7-6-17-8-9-22(27-20(17)14-18)30-10-12-33-13-11-30/h3-9,14-16H,10-13H2,1-2H3,(H,26,28,32)
InChIKeyWMXKAPGVTJWFOL-UHFFFAOYSA-N
XLogP3.56
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (CID 138525683) is 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(N4CCOCC4)nc3c2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The InChIKey is WMXKAPGVTJWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-16(2)31-15-25-29-23(31)19-4-3-5-21(26-19)28-24(32)18-7-6-17-8-9-22(27-20(17)14-18)30-10-12-33-13-11-30/h3-9,14-16H,10-13H2,1-2H3,(H,26,28,32).
What are the key properties of 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 138525683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).