2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide

C15H16N4O2 — CID 115649355

IUPAC2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-21-7-6-17-14(20)10-19-15-11(8-16)9-18-13-5-3-2-4-12(13)15/h2-5,9H,6-7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyHBYSIOSVMVLSFE-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.28
Rot. Bonds6

About 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 115649355) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID115649355
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H16N4O2/c1-21-7-6-17-14(20)10-19-15-11(8-16)9-18-13-5-3-2-4-12(13)15/h2-5,9H,6-7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyHBYSIOSVMVLSFE-UHFFFAOYSA-N
XLogP1.28
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
CID 454441
5-Acetylaminoquinoline
CID 162518
3-Acetylaminoquinoline
CID 79448
4-(Propan-2-ylamino)quinoline-3-carbonitrile
CID 43668876
N-(4-cyanophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 155280243
5-(2-Quinolin-6-ylethyl)-1,4-dihydropyrazine-2,3-dione
CID 166951499
2-(3-Cyano-7-ethyl-indol-1-yl)-N-(2-methoxy-ethyl)-acetamide
CID 655797
N-(2-methoxyethyl)-2-[3-(1-piperidinylcarbonothioyl)-1H-indol-1-yl]acetamide
CID 2976566
1-[3-methyl-2-[[2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(5-quinolinyl)-2-pyrrolidinecarboxamide
CID 53338799
4-(2-Aminoethylamino)quinoline-7-carbonitrile
CID 71713002
3-(dimethylamino)-5-ethyl-6-methyl-4-(4-quinolylmethyl)-1H-pyridin-2-one
CID 486896
4-Morpholineacetamide, N-(1,2,3,4-tetrahydro-9-acridinyl)-
CID 3079929

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 115649355) is 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is HBYSIOSVMVLSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-7-6-17-14(20)10-19-15-11(8-16)9-18-13-5-3-2-4-12(13)15/h2-5,9H,6-7,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115649355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).