2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C28H26N4O3 — CID 71242061

IUPAC2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12
InChIInChI=1S/C28H26N4O3/c29-28(34)23-6-4-13-31-25(23)18-35-26-16-21(15-24-22(26)5-3-12-30-24)20-10-8-19(9-11-20)17-32-14-2-1-7-27(32)33/h3-6,8-13,15-16H,1-2,7,14,17-18H2,(H2,29,34)
InChIKeyGPMQLKRQYABJOT-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.49
Rot. Bonds7

About 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71242061) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71242061
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12
InChIInChI=1S/C28H26N4O3/c29-28(34)23-6-4-13-31-25(23)18-35-26-16-21(15-24-22(26)5-3-12-30-24)20-10-8-19(9-11-20)17-32-14-2-1-7-27(32)33/h3-6,8-13,15-16H,1-2,7,14,17-18H2,(H2,29,34)
InChIKeyGPMQLKRQYABJOT-UHFFFAOYSA-N
XLogP4.49
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71242061) is 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is NC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12.
What is the InChIKey of 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is GPMQLKRQYABJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c29-28(34)23-6-4-13-31-25(23)18-35-26-16-21(15-24-22(26)5-3-12-30-24)20-10-8-19(9-11-20)17-32-14-2-1-7-27(32)33/h3-6,8-13,15-16H,1-2,7,14,17-18H2,(H2,29,34).
What are the key properties of 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71242061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).