3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide

C21H19N3O2 — CID 75512130

IUPAC3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)/C=C/c1ccnc2ccccc12
InChIInChI=1S/C21H19N3O2/c22-21(26)19(14-15-6-2-1-3-7-15)24-20(25)11-10-16-12-13-23-18-9-5-4-8-17(16)18/h1-13,19H,14H2,(H2,22,26)(H,24,25)/b11-10+
InChIKeyJDGBPBLUTXINMV-ZHACJKMWSA-N
MW345.40 g/mol
LogP2.46
Rot. Bonds6

About 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide

3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide (PubChem CID 75512130) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
PubChem CID75512130
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)/C=C/c1ccnc2ccccc12
InChIInChI=1S/C21H19N3O2/c22-21(26)19(14-15-6-2-1-3-7-15)24-20(25)11-10-16-12-13-23-18-9-5-4-8-17(16)18/h1-13,19H,14H2,(H2,22,26)(H,24,25)/b11-10+
InChIKeyJDGBPBLUTXINMV-ZHACJKMWSA-N
XLogP2.46
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-phenyl-2-[[(Z)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 98525818
(2S)-3-phenyl-2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoylamino]propanamide
CID 91131589
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
4-quinolin-4-ylbut-3-enamide
CID 170798108
4-[[(2S)-1-amino-1-oxo-3-quinolin-4-ylpropan-2-yl]amino]-4-oxobutanoic acid
CID 170256566
(2S)-2-[[(E)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid
CID 70442166
(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide
CID 95629687
(2R)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 92523935
3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 6247145
3-(4-hydroxyphenyl)-2-[3-(2-hydroxyphenyl)prop-2-enoylamino]propanoic acid
CID 174832653
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
CID 97359293
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide?
The IUPAC name of 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide (CID 75512130) is 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide?
The canonical SMILES for 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide is NC(=O)C(Cc1ccccc1)NC(=O)/C=C/c1ccnc2ccccc12.
What is the InChIKey of 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide?
The InChIKey is JDGBPBLUTXINMV-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-21(26)19(14-15-6-2-1-3-7-15)24-20(25)11-10-16-12-13-23-18-9-5-4-8-17(16)18/h1-13,19H,14H2,(H2,22,26)(H,24,25)/b11-10+.
What are the key properties of 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide?
3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 75512130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).