6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one

C26H31ClN4O3 — CID 167674135

About 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one

6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one (PubChem CID 167674135) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one.

Molecular Properties

• Compound Name: 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
• PubChem CID: 167674135
• Molecular Formula: C26H31ClN4O3
• Molecular Weight: 483.01 g/mol
• Exact Mass: 482.21
• IUPAC Name: 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
• SMILES: CCC(=O)COc1cc2cc(Nc3cc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C26H31ClN4O3/c1-4-20(32)16-34-24-13-18-12-19(8-9-23(18)31(17(2)3)26(24)33)29-22-14-25(28-15-21(22)27)30-10-6-5-7-11-30/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,28,29)
• InChIKey: QIDJHACKELLOTR-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.01
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?

The IUPAC name of 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one (CID 167674135) is 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one.

What is the SMILES notation for 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?

The canonical SMILES for 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one is CCC(=O)COc1cc2cc(Nc3cc(N4CCCCC4)ncc3Cl)ccc2n(C(C)C)c1=O.

What is the InChIKey of 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?

The InChIKey is QIDJHACKELLOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-4-20(32)16-34-24-13-18-12-19(8-9-23(18)31(17(2)3)26(24)33)29-22-14-25(28-15-21(22)27)30-10-6-5-7-11-30/h8-9,12-15,17H,4-7,10-11,16H2,1-3H3,(H,28,29).

What are the key properties of 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?

6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one has a molecular weight of 483.01 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one is sourced from PubChem (CID 167674135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).