4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide

C20H19N3O2 — CID 110745532

IUPAC4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H19N3O2/c1-14(24)22-18-9-7-16(8-10-18)20(25)23(2)13-15-11-17-5-3-4-6-19(17)21-12-15/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyLEBYETODCMJZRS-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.47
Rot. Bonds4

About 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide

4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide (PubChem CID 110745532) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
PubChem CID110745532
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H19N3O2/c1-14(24)22-18-9-7-16(8-10-18)20(25)23(2)13-15-11-17-5-3-4-6-19(17)21-12-15/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyLEBYETODCMJZRS-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
CID 119048371
N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 91781862
4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide
CID 42797092
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide (CID 110745532) is 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
The InChIKey is LEBYETODCMJZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(24)22-18-9-7-16(8-10-18)20(25)23(2)13-15-11-17-5-3-4-6-19(17)21-12-15/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide?
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide is sourced from PubChem (CID 110745532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).