N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide

C24H19N2O2+ — CID 3888484

IUPACN-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide
SMILESO=C(C[n+]1cccc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2/c27-23(17-26-16-6-10-18-7-4-5-11-22(18)26)19-12-14-21(15-13-19)25-24(28)20-8-2-1-3-9-20/h1-16H,17H2/p+1
InChIKeyGSWCLSQMZNEKMR-UHFFFAOYSA-O
MW367.43 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide

N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide (PubChem CID 3888484) has the molecular formula C24H19N2O2+ and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide
PubChem CID3888484
Molecular FormulaC24H19N2O2+
Molecular Weight367.43 g/mol
Exact Mass367.14
IUPAC NameN-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide
SMILESO=C(C[n+]1cccc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2/c27-23(17-26-16-6-10-18-7-4-5-11-22(18)26)19-12-14-21(15-13-19)25-24(28)20-8-2-1-3-9-20/h1-16H,17H2/p+1
InChIKeyGSWCLSQMZNEKMR-UHFFFAOYSA-O
XLogP4.26
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-phenacylquinolin-1-ium-6-carboxylic acid
CID 139741398
N-(1-phenacylpyridin-1-ium-3-yl)benzamide
CID 3104420
methyl 4-(2-quinolin-1-ium-1-ylacetyl)benzoate;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139742698
1-(3-nitrophenyl)-2-quinolin-1-ium-1-ylethanone
CID 3991793
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
1-(4-methoxyphenyl)-2-quinolin-1-ium-1-ylethanone;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139742230
(4-benzamidophenyl)carbamic acid
CID 18543096
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
4-benzamido-N-ethylbenzamide
CID 17153265
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
CID 21128058

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide?
The IUPAC name of N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide (CID 3888484) is N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide is O=C(C[n+]1cccc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide?
The InChIKey is GSWCLSQMZNEKMR-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H18N2O2/c27-23(17-26-16-6-10-18-7-4-5-11-22(18)26)19-12-14-21(15-13-19)25-24(28)20-8-2-1-3-9-20/h1-16H,17H2/p+1.
What are the key properties of N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide?
N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide has a molecular weight of 367.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-quinolin-1-ium-1-ylacetyl)phenyl]benzamide is sourced from PubChem (CID 3888484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).