N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide

C30H32ClN3O4 — CID 11606239

About N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide

N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide (PubChem CID 11606239) has the molecular formula C30H32ClN3O4 and a molecular weight of 534.06 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide
• PubChem CID: 11606239
• Molecular Formula: C30H32ClN3O4
• Molecular Weight: 534.06 g/mol
• Exact Mass: 533.21
• IUPAC Name: N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide
• SMILES: Cc1cccc(Cl)c1CNC(=O)Cc1cccc(CC(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1
• InChI: InChI=1S/C30H32ClN3O4/c1-18-5-3-8-25(31)24(18)16-33-29(38)15-21-7-4-6-20(14-21)13-19(2)32-17-27(36)22-9-11-26(35)30-23(22)10-12-28(37)34-30/h3-12,14,19,27,32,35-36H,13,15-17H2,1-2H3,(H,33,38)(H,34,37)/t19?,27-/m0/s1
• InChIKey: DSAPBURFXKKMQA-NZVRHLSZSA-N
• XLogP: 4.31
• TPSA: 114.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.06
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?

The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide (CID 11606239) is N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide.

What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?

The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide is Cc1cccc(Cl)c1CNC(=O)Cc1cccc(CC(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1.

What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?

The InChIKey is DSAPBURFXKKMQA-NZVRHLSZSA-N. The full InChI is InChI=1S/C30H32ClN3O4/c1-18-5-3-8-25(31)24(18)16-33-29(38)15-21-7-4-6-20(14-21)13-19(2)32-17-27(36)22-9-11-26(35)30-23(22)10-12-28(37)34-30/h3-12,14,19,27,32,35-36H,13,15-17H2,1-2H3,(H,33,38)(H,34,37)/t19?,27-/m0/s1.

What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?

N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide has a molecular weight of 534.06 g/mol, XLogP of 4.31, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide is sourced from PubChem (CID 11606239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).