3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide

C21H24N2O3 — CID 108953391

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-18-11-9-17(10-12-18)22-20(24)14-21(25)23-13-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,22,24)
InChIKeyCAUSRQFQPJGLSH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 108953391) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID108953391
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-15(2)26-18-11-9-17(10-12-18)22-20(24)14-21(25)23-13-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,22,24)
InChIKeyCAUSRQFQPJGLSH-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
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
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953408
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867443
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009436

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide (CID 108953391) is 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)CC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is CAUSRQFQPJGLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(2)26-18-11-9-17(10-12-18)22-20(24)14-21(25)23-13-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 108953391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).