7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one

C20H28N2O3 — CID 23301159

IUPAC7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one
SMILESCCCC(C)COc1c(OCC=C(C)C)c2ccc(N)cc2[nH]c1=O
InChIInChI=1S/C20H28N2O3/c1-5-6-14(4)12-25-19-18(24-10-9-13(2)3)16-8-7-15(21)11-17(16)22-20(19)23/h7-9,11,14H,5-6,10,12,21H2,1-4H3,(H,22,23)
InChIKeyNJJNHAWJDFNYRE-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.27
Rot. Bonds8

About 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one

7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one (PubChem CID 23301159) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one
PubChem CID23301159
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one
SMILESCCCC(C)COc1c(OCC=C(C)C)c2ccc(N)cc2[nH]c1=O
InChIInChI=1S/C20H28N2O3/c1-5-6-14(4)12-25-19-18(24-10-9-13(2)3)16-8-7-15(21)11-17(16)22-20(19)23/h7-9,11,14H,5-6,10,12,21H2,1-4H3,(H,22,23)
InChIKeyNJJNHAWJDFNYRE-UHFFFAOYSA-N
XLogP4.27
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one
CID 503392
2(1H)-Quinolinone, 3-(3-methyl-2-butenyl)-4-[(3-methyl-2-butenyl)oxy]-
CID 4556
4-Methoxy-1H-quinolin-2-one
CID 600167
7-(dimethylamino)-4-methoxy-1-methylquinolin-2(1H)-one
CID 660402
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 3237244
N-[3-(2-ethyl-1-piperidinyl)propyl]-2-[(1-methyl-2-oxo-4-quinolinyl)oxy]acetamide
CID 3238420
N-cyclohexyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3238463
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3239072
N-cyclohexyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-methylacetamide
CID 3239727
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 3240625
N-{3-[ethyl(phenyl)amino]propyl}-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3240679

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one?
The IUPAC name of 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one (CID 23301159) is 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one?
The canonical SMILES for 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one is CCCC(C)COc1c(OCC=C(C)C)c2ccc(N)cc2[nH]c1=O.
What is the InChIKey of 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one?
The InChIKey is NJJNHAWJDFNYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-6-14(4)12-25-19-18(24-10-9-13(2)3)16-8-7-15(21)11-17(16)22-20(19)23/h7-9,11,14H,5-6,10,12,21H2,1-4H3,(H,22,23).
What are the key properties of 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one?
7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one has a molecular weight of 344.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one is sourced from PubChem (CID 23301159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).