3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide

C20H29N3O3 — CID 108960416

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-20(2,18(24)21-9-11-22-12-14-26-15-13-22)19(25)23-10-5-7-16-6-3-4-8-17(16)23/h3-4,6,8H,5,7,9-15H2,1-2H3,(H,21,24)
InChIKeyOGUAOQOEWZWDPC-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.44
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide (PubChem CID 108960416) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
PubChem CID108960416
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-20(2,18(24)21-9-11-22-12-14-26-15-13-22)19(25)23-10-5-7-16-6-3-4-8-17(16)23/h3-4,6,8H,5,7,9-15H2,1-2H3,(H,21,24)
InChIKeyOGUAOQOEWZWDPC-UHFFFAOYSA-N
XLogP1.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide with MolForge

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Related Compounds

N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
CID 108958049
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973642
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
N-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962699
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113160669
3,4-dihydro-2H-quinolin-1-yl-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]methanone
CID 109115568
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108834790
N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20944006
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide (CID 108960416) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide is CC(C)(C(=O)NCCN1CCOCC1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The InChIKey is OGUAOQOEWZWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,18(24)21-9-11-22-12-14-26-15-13-22)19(25)23-10-5-7-16-6-3-4-8-17(16)23/h3-4,6,8H,5,7,9-15H2,1-2H3,(H,21,24).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide has a molecular weight of 359.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide is sourced from PubChem (CID 108960416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).