N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide

C21H22N2O2 — CID 71843340

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O2/c1-16-8-10-17(11-9-16)12-13-20(24)22-15-21(25)23-14-4-6-18-5-2-3-7-19(18)23/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,22,24)
InChIKeyTXPRZPRRRUBFDW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 71843340) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID71843340
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O2/c1-16-8-10-17(11-9-16)12-13-20(24)22-15-21(25)23-14-4-6-18-5-2-3-7-19(18)23/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,22,24)
InChIKeyTXPRZPRRRUBFDW-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 53125865
(E)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 134022327
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111243413
(E)-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7827974
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide (CID 71843340) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(C=CC(=O)NCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is TXPRZPRRRUBFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-8-10-17(11-9-16)12-13-20(24)22-15-21(25)23-14-4-6-18-5-2-3-7-19(18)23/h2-3,5,7-13H,4,6,14-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 71843340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).