4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one

C26H30N6O3 — CID 157144530

About 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one

4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one (PubChem CID 157144530) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one.

Molecular Properties

• Compound Name: 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one
• PubChem CID: 157144530
• Molecular Formula: C26H30N6O3
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.24
• IUPAC Name: 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one
• SMILES: C[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2nc3cc(N4CCOCC4=O)ccc3cc2N)C1
• InChI: InChI=1S/C26H30N6O3/c1-16-8-19(27)14-31(13-16)23-4-5-29-12-18(23)10-24(33)26-21(28)9-17-2-3-20(11-22(17)30-26)32-6-7-35-15-25(32)34/h2-5,9,11-12,16,19H,6-8,10,13-15,27-28H2,1H3/t16-,19+/m1/s1
• InChIKey: AKOCYICLZKNQGZ-APWZRJJASA-N
• XLogP: 2.17
• TPSA: 127.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one?

The IUPAC name of 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one (CID 157144530) is 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one.

What is the SMILES notation for 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one?

The canonical SMILES for 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one is C[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2nc3cc(N4CCOCC4=O)ccc3cc2N)C1.

What is the InChIKey of 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one?

The InChIKey is AKOCYICLZKNQGZ-APWZRJJASA-N. The full InChI is InChI=1S/C26H30N6O3/c1-16-8-19(27)14-31(13-16)23-4-5-29-12-18(23)10-24(33)26-21(28)9-17-2-3-20(11-22(17)30-26)32-6-7-35-15-25(32)34/h2-5,9,11-12,16,19H,6-8,10,13-15,27-28H2,1H3/t16-,19+/m1/s1.

What are the key properties of 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one?

4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one has a molecular weight of 474.57 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one is sourced from PubChem (CID 157144530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).