N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C21H24N2O3 — CID 51537762

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-9-6-15(7-10-18)12-13-22-20(24)11-8-17-14-16-4-2-3-5-19(16)23-21(17)25/h2-7,9-10,17H,8,11-14H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1
InChIKeyOQUAVGZPPQJMBB-QGZVFWFLSA-N
MW352.43 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 51537762) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID51537762
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-26-18-9-6-15(7-10-18)12-13-22-20(24)11-8-17-14-16-4-2-3-5-19(16)23-21(17)25/h2-7,9-10,17H,8,11-14H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1
InChIKeyOQUAVGZPPQJMBB-QGZVFWFLSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42935983
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142430
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 134049503
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 51537762) is N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is COc1ccc(CCNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is OQUAVGZPPQJMBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-18-9-6-15(7-10-18)12-13-22-20(24)11-8-17-14-16-4-2-3-5-19(16)23-21(17)25/h2-7,9-10,17H,8,11-14H2,1H3,(H,22,24)(H,23,25)/t17-/m1/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 352.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 51537762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).