N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide

C20H22N2O — CID 91552807

IUPACN-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCC(NC(=O)C=Cc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O/c1-16(21-20(23)14-13-17-8-3-2-4-9-17)22-15-7-11-18-10-5-6-12-19(18)22/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H,21,23)
InChIKeyLWNREJIUPOUDMB-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide

N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 91552807) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID91552807
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCC(NC(=O)C=Cc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O/c1-16(21-20(23)14-13-17-8-3-2-4-9-17)22-15-7-11-18-10-5-6-12-19(18)22/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H,21,23)
InChIKeyLWNREJIUPOUDMB-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.61
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-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-phenylprop-2-enamide
CID 905163
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55381351
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
(E)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 86881495
(2R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 37496509
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 71843340
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide (CID 91552807) is N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide is CC(NC(=O)C=Cc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is LWNREJIUPOUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16(21-20(23)14-13-17-8-3-2-4-9-17)22-15-7-11-18-10-5-6-12-19(18)22/h2-6,8-10,12-14,16H,7,11,15H2,1H3,(H,21,23).
What are the key properties of N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide?
N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 306.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 91552807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).