N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide

C22H24N4O2 — CID 50956889

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CN(C)Cc2cccc3ncccc23)cc1
InChIInChI=1S/C22H24N4O2/c1-16(27)26(3)19-11-9-18(10-12-19)24-22(28)15-25(2)14-17-6-4-8-21-20(17)7-5-13-23-21/h4-13H,14-15H2,1-3H3,(H,24,28)
InChIKeyCXRHRNAXOQCWAO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.29
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide (PubChem CID 50956889) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide
PubChem CID50956889
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CN(C)Cc2cccc3ncccc23)cc1
InChIInChI=1S/C22H24N4O2/c1-16(27)26(3)19-11-9-18(10-12-19)24-22(28)15-25(2)14-17-6-4-8-21-20(17)7-5-13-23-21/h4-13H,14-15H2,1-3H3,(H,24,28)
InChIKeyCXRHRNAXOQCWAO-UHFFFAOYSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide (CID 50956889) is N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide is CC(=O)N(C)c1ccc(NC(=O)CN(C)Cc2cccc3ncccc23)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide?
The InChIKey is CXRHRNAXOQCWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(27)26(3)19-11-9-18(10-12-19)24-22(28)15-25(2)14-17-6-4-8-21-20(17)7-5-13-23-21/h4-13H,14-15H2,1-3H3,(H,24,28).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-[methyl(quinolin-5-ylmethyl)amino]acetamide is sourced from PubChem (CID 50956889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).