N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide

C16H21N3O2 — CID 647352

IUPACN-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCNc1nc2ccc(C)cc2cc1C
InChIInChI=1S/C16H21N3O2/c1-11-4-5-14-13(8-11)9-12(2)16(19-14)18-7-6-17-15(20)10-21-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIPTSVCURHZDEHI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide

N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide (PubChem CID 647352) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
PubChem CID647352
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCNc1nc2ccc(C)cc2cc1C
InChIInChI=1S/C16H21N3O2/c1-11-4-5-14-13(8-11)9-12(2)16(19-14)18-7-6-17-15(20)10-21-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIPTSVCURHZDEHI-UHFFFAOYSA-N
XLogP2.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.03
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

N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2-ethylbutanamide
CID 3213315
N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 44754246
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 652221
N-[2-[[7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]ethyl]-2-methoxyacetamide
CID 43814397
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
4-fluoro-N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]benzamide
CID 3206673
N-methyl-3-[(3-methylquinolin-2-yl)amino]propanamide
CID 63228938
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
CID 3221711
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide (CID 647352) is N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide is COCC(=O)NCCNc1nc2ccc(C)cc2cc1C.
What is the InChIKey of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide?
The InChIKey is IPTSVCURHZDEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-5-14-13(8-11)9-12(2)16(19-14)18-7-6-17-15(20)10-21-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide?
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 647352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).