1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C24H24N4O2 — CID 56547950

IUPAC1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C24H24N4O2/c25-24(30)21-11-5-15-28(21)16-19-6-1-2-10-20(19)27-22(29)13-12-18-8-3-7-17-9-4-14-26-23(17)18/h1-4,6-10,12-14,21H,5,11,15-16H2,(H2,25,30)(H,27,29)/b13-12+
InChIKeyAYOWQYVTLUOFDP-OUKQBFOZSA-N
MW400.48 g/mol
LogP3.34
Rot. Bonds6

About 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56547950) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56547950
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C24H24N4O2/c25-24(30)21-11-5-15-28(21)16-19-6-1-2-10-20(19)27-22(29)13-12-18-8-3-7-17-9-4-14-26-23(17)18/h1-4,6-10,12-14,21H,5,11,15-16H2,(H2,25,30)(H,27,29)/b13-12+
InChIKeyAYOWQYVTLUOFDP-OUKQBFOZSA-N
XLogP3.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56548081
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 62470053
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52515061
[2-(2-benzylanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607846
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560416
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547610

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 56547950) is 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccccc1NC(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AYOWQYVTLUOFDP-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H24N4O2/c25-24(30)21-11-5-15-28(21)16-19-6-1-2-10-20(19)27-22(29)13-12-18-8-3-7-17-9-4-14-26-23(17)18/h1-4,6-10,12-14,21H,5,11,15-16H2,(H2,25,30)(H,27,29)/b13-12+.
What are the key properties of 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56547950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).