N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide

C20H21N3O3 — CID 108953400

IUPACN-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H21N3O3/c1-14(24)21-16-8-4-9-17(12-16)22-19(25)13-20(26)23-11-5-7-15-6-2-3-10-18(15)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyUEBHEUMWNXVXQW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds4

About N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide

N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide (PubChem CID 108953400) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
PubChem CID108953400
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H21N3O3/c1-14(24)21-16-8-4-9-17(12-16)22-19(25)13-20(26)23-11-5-7-15-6-2-3-10-18(15)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyUEBHEUMWNXVXQW-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108953370
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953408
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
CID 108953391
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
N-(3-acetamidophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948166
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110417621
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide (CID 108953400) is N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide is CC(=O)Nc1cccc(NC(=O)CC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
The InChIKey is UEBHEUMWNXVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(24)21-16-8-4-9-17(12-16)22-19(25)13-20(26)23-11-5-7-15-6-2-3-10-18(15)23/h2-4,6,8-10,12H,5,7,11,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide?
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108953400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).