3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide

C16H16ClN3O2 — CID 154844496

IUPAC3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide
SMILESO=C1CCC[C@H](CNC(=O)c2nc3ccccc3cc2Cl)N1
InChIInChI=1S/C16H16ClN3O2/c17-12-8-10-4-1-2-6-13(10)20-15(12)16(22)18-9-11-5-3-7-14(21)19-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,18,22)(H,19,21)/t11-/m1/s1
InChIKeyONNHJYYHVXROLW-LLVKDONJSA-N
MW317.78 g/mol
LogP2.29
Rot. Bonds3

About 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide

3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide (PubChem CID 154844496) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide
PubChem CID154844496
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide
SMILESO=C1CCC[C@H](CNC(=O)c2nc3ccccc3cc2Cl)N1
InChIInChI=1S/C16H16ClN3O2/c17-12-8-10-4-1-2-6-13(10)20-15(12)16(22)18-9-11-5-3-7-14(21)19-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,18,22)(H,19,21)/t11-/m1/s1
InChIKeyONNHJYYHVXROLW-LLVKDONJSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide (CID 154844496) is 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide is O=C1CCC[C@H](CNC(=O)c2nc3ccccc3cc2Cl)N1.
What is the InChIKey of 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide?
The InChIKey is ONNHJYYHVXROLW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-8-10-4-1-2-6-13(10)20-15(12)16(22)18-9-11-5-3-7-14(21)19-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,18,22)(H,19,21)/t11-/m1/s1.
What are the key properties of 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide?
3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2R)-6-oxopiperidin-2-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 154844496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).