2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide

C20H27N3O2 — CID 46364051

IUPAC2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C20H27N3O2/c1-4-15(5-2)20(24)21-16-6-7-18-17(13-16)14(3)12-19(22-18)23-8-10-25-11-9-23/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyULZNPCWELTZMPM-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.75
Rot. Bonds5

About 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide

2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide (PubChem CID 46364051) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
PubChem CID46364051
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C20H27N3O2/c1-4-15(5-2)20(24)21-16-6-7-18-17(13-16)14(3)12-19(22-18)23-8-10-25-11-9-23/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyULZNPCWELTZMPM-UHFFFAOYSA-N
XLogP3.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288486
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
2-(2,3-diethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 46364061
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976
N-[4-methyl-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinolin-6-yl]acetamide
CID 50825427
3-(4-bromophenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)prop-2-enamide
CID 3266592

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide?
The IUPAC name of 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide (CID 46364051) is 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide is CCC(CC)C(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1.
What is the InChIKey of 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide?
The InChIKey is ULZNPCWELTZMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-15(5-2)20(24)21-16-6-7-18-17(13-16)14(3)12-19(22-18)23-8-10-25-11-9-23/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,24).
What are the key properties of 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide?
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide has a molecular weight of 341.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide is sourced from PubChem (CID 46364051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).