4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C21H21N3O3 — CID 110662798

IUPAC4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-13-3-8-19-17(11-13)12-16(21(27)24-19)9-10-22-20(26)15-4-6-18(7-5-15)23-14(2)25/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyVSALPANQARJYRJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.77
Rot. Bonds5

About 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 110662798) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID110662798
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H21N3O3/c1-13-3-8-19-17(11-13)12-16(21(27)24-19)9-10-22-20(26)15-4-6-18(7-5-15)23-14(2)25/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyVSALPANQARJYRJ-UHFFFAOYSA-N
XLogP2.77
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662792
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415351
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136867
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 110325649

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 110662798) is 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is VSALPANQARJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-3-8-19-17(11-13)12-16(21(27)24-19)9-10-22-20(26)15-4-6-18(7-5-15)23-14(2)25/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 110662798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).