8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride

C21H25ClN2O4 — CID 164617771

About 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride

8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 164617771) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride
• PubChem CID: 164617771
• Molecular Formula: C21H25ClN2O4
• Molecular Weight: 404.89 g/mol
• Exact Mass: 404.15
• IUPAC Name: 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride
• SMILES: CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
• InChI: InChI=1S/C21H24N2O4.ClH/c1-13(5-6-14-3-2-4-15(24)11-14)22-12-19(26)16-7-9-18(25)21-17(16)8-10-20(27)23-21;/h2-4,7-11,13,19,22,24-26H,5-6,12H2,1H3,(H,23,27);1H
• InChIKey: JKCCZJRQKBGOFV-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 105.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.89
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride?

The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride (CID 164617771) is 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride.

What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride?

The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride is CC(CCc1cccc(O)c1)NCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl.

What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride?

The InChIKey is JKCCZJRQKBGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4.ClH/c1-13(5-6-14-3-2-4-15(24)11-14)22-12-19(26)16-7-9-18(25)21-17(16)8-10-20(27)23-21;/h2-4,7-11,13,19,22,24-26H,5-6,12H2,1H3,(H,23,27);1H.

What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride?

8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 404.89 g/mol, XLogP of 3.01, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 164617771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).