(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide

C24H20N4O3 — CID 134050608

IUPAC(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H20N4O3/c29-22(13-8-18-5-1-4-17-6-2-14-25-23(17)18)27-19-9-11-20(12-10-19)28-24(30)26-16-21-7-3-15-31-21/h1-15H,16H2,(H,27,29)(H2,26,28,30)/b13-8+
InChIKeyCTDPCBLDDONBPC-MDWZMJQESA-N
MW412.45 g/mol
LogP4.80
Rot. Bonds6

About (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 134050608) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID134050608
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H20N4O3/c29-22(13-8-18-5-1-4-17-6-2-14-25-23(17)18)27-19-9-11-20(12-10-19)28-24(30)26-16-21-7-3-15-31-21/h1-15H,16H2,(H,27,29)(H2,26,28,30)/b13-8+
InChIKeyCTDPCBLDDONBPC-MDWZMJQESA-N
XLogP4.80
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
1-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109046640
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 18286599

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide (CID 134050608) is (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc2cccnc12)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is CTDPCBLDDONBPC-MDWZMJQESA-N. The full InChI is InChI=1S/C24H20N4O3/c29-22(13-8-18-5-1-4-17-6-2-14-25-23(17)18)27-19-9-11-20(12-10-19)28-24(30)26-16-21-7-3-15-31-21/h1-15H,16H2,(H,27,29)(H2,26,28,30)/b13-8+.
What are the key properties of (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 412.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 134050608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).