N-benzhydryl-3-quinolin-8-ylprop-2-enamide

C25H20N2O — CID 55503823

IUPACN-benzhydryl-3-quinolin-8-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2cccnc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O/c28-23(17-16-22-14-7-13-19-15-8-18-26-24(19)22)27-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,25H,(H,27,28)
InChIKeyRETJPYMCABESFC-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.15
Rot. Bonds5

About N-benzhydryl-3-quinolin-8-ylprop-2-enamide

N-benzhydryl-3-quinolin-8-ylprop-2-enamide (PubChem CID 55503823) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzhydryl-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound NameN-benzhydryl-3-quinolin-8-ylprop-2-enamide
PubChem CID55503823
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC NameN-benzhydryl-3-quinolin-8-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2cccnc12)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O/c28-23(17-16-22-14-7-13-19-15-8-18-26-24(19)22)27-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,25H,(H,27,28)
InChIKeyRETJPYMCABESFC-UHFFFAOYSA-N
XLogP5.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.15
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-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 18209299
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 91942315
(Z)-N-[(S)-cyano-(2-fluorophenyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 97464351
N-benzhydryl-2-quinolin-8-ylsulfanylpropanamide
CID 43926524
methyl (2S,3S)-3-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]pentanoate
CID 47084216
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
CID 86968796

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of N-benzhydryl-3-quinolin-8-ylprop-2-enamide (CID 55503823) is N-benzhydryl-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for N-benzhydryl-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for N-benzhydryl-3-quinolin-8-ylprop-2-enamide is O=C(C=Cc1cccc2cccnc12)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-quinolin-8-ylprop-2-enamide?
The InChIKey is RETJPYMCABESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c28-23(17-16-22-14-7-13-19-15-8-18-26-24(19)22)27-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,25H,(H,27,28).
What are the key properties of N-benzhydryl-3-quinolin-8-ylprop-2-enamide?
N-benzhydryl-3-quinolin-8-ylprop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 55503823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).