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

IUPAC4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2nc3cc(N4CCOCC4=O)ccc3cc2N)C1
InChIInChI=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
InChIKeyAKOCYICLZKNQGZ-APWZRJJASA-N
MW474.57 g/mol
LogP2.17
Rot. Bonds5

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 Name4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one
PubChem CID157144530
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name4-[3-amino-2-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]acetyl]quinolin-7-yl]morpholin-3-one
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2CC(=O)c2nc3cc(N4CCOCC4=O)ccc3cc2N)C1
InChIInChI=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
InChIKeyAKOCYICLZKNQGZ-APWZRJJASA-N
XLogP2.17
TPSA127.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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).