1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one

C17H24N2O2 — CID 81244191

IUPAC1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
SMILESCC(C)CCOCCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-13(2)8-10-21-11-9-18-15-12-17(20)19(3)16-7-5-4-6-14(15)16/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyGZZKDGJWQALJBL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.01
Rot. Bonds7

About 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one

1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one (PubChem CID 81244191) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
PubChem CID81244191
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one
SMILESCC(C)CCOCCNc1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O2/c1-13(2)8-10-21-11-9-18-15-12-17(20)19(3)16-7-5-4-6-14(15)16/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyGZZKDGJWQALJBL-UHFFFAOYSA-N
XLogP3.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
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-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
ethyl 2-[4-methyl-2-oxo-1(2H)-quinolinyl]acetate
CID 285479
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274
N-Ethyl-N-(2-hydroxy-quinolin-4-ylmethyl)-isobutyramide
CID 945517
2-methyl-N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 947598
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
CID 2017572
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 2812678

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one (CID 81244191) is 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one is CC(C)CCOCCNc1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one?
The InChIKey is GZZKDGJWQALJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)8-10-21-11-9-18-15-12-17(20)19(3)16-7-5-4-6-14(15)16/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one?
1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(3-methylbutoxy)ethylamino]quinolin-2-one is sourced from PubChem (CID 81244191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).