7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide

C16H19N3O3 — CID 50842476

IUPAC7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
SMILESCOCCNC(=O)c1cc(NC(C)=O)cc2nc(C)ccc12
InChIInChI=1S/C16H19N3O3/c1-10-4-5-13-14(16(21)17-6-7-22-3)8-12(19-11(2)20)9-15(13)18-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyJTCCWKHRXPCIFK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.88
Rot. Bonds5

About 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide

7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide (PubChem CID 50842476) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
PubChem CID50842476
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
SMILESCOCCNC(=O)c1cc(NC(C)=O)cc2nc(C)ccc12
InChIInChI=1S/C16H19N3O3/c1-10-4-5-13-14(16(21)17-6-7-22-3)8-12(19-11(2)20)9-15(13)18-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyJTCCWKHRXPCIFK-UHFFFAOYSA-N
XLogP1.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide
CID 95093772
7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide
CID 95093769
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
N-[(3-bromophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842284
N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842551
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977
N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
CID 53137983
2-(4-acetamidophenyl)-N-(3-methoxypropyl)-6-methylquinoline-4-carboxamide
CID 46375371
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842217

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide?
The IUPAC name of 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide (CID 50842476) is 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide.
What is the SMILES notation for 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide?
The canonical SMILES for 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide is COCCNC(=O)c1cc(NC(C)=O)cc2nc(C)ccc12.
What is the InChIKey of 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide?
The InChIKey is JTCCWKHRXPCIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-4-5-13-14(16(21)17-6-7-22-3)8-12(19-11(2)20)9-15(13)18-10/h4-5,8-9H,6-7H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide?
7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide is sourced from PubChem (CID 50842476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).