N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide

C25H28N6O2 — CID 156635542

IUPACN-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(=O)c(-c3cccc(-c4nncn4C(C)C)n3)cn(C(C)C)c2cc1C
InChIInChI=1S/C25H28N6O2/c1-14(2)30-12-19(24(33)18-11-22(27-17(6)32)16(5)10-23(18)30)20-8-7-9-21(28-20)25-29-26-13-31(25)15(3)4/h7-15H,1-6H3,(H,27,32)
InChIKeyJCSRGPUQQWLGKV-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.75
Rot. Bonds5

About N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide

N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide (PubChem CID 156635542) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide
PubChem CID156635542
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(=O)c(-c3cccc(-c4nncn4C(C)C)n3)cn(C(C)C)c2cc1C
InChIInChI=1S/C25H28N6O2/c1-14(2)30-12-19(24(33)18-11-22(27-17(6)32)16(5)10-23(18)30)20-8-7-9-21(28-20)25-29-26-13-31(25)15(3)4/h7-15H,1-6H3,(H,27,32)
InChIKeyJCSRGPUQQWLGKV-UHFFFAOYSA-N
XLogP4.75
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide?
The IUPAC name of N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide (CID 156635542) is N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide is CC(=O)Nc1cc2c(=O)c(-c3cccc(-c4nncn4C(C)C)n3)cn(C(C)C)c2cc1C.
What is the InChIKey of N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide?
The InChIKey is JCSRGPUQQWLGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-14(2)30-12-19(24(33)18-11-22(27-17(6)32)16(5)10-23(18)30)20-8-7-9-21(28-20)25-29-26-13-31(25)15(3)4/h7-15H,1-6H3,(H,27,32).
What are the key properties of N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide?
N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 156635542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).