N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide

C24H17N3O2 — CID 166050621

IUPACN-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(Oc3ccnc4ccccc34)c2)cc1
InChIInChI=1S/C24H17N3O2/c25-15-17-8-10-18(11-9-17)16-27-24(28)19-4-3-5-20(14-19)29-23-12-13-26-22-7-2-1-6-21(22)23/h1-14H,16H2,(H,27,28)
InChIKeyDFZIRSIUHXOECJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.83
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide

N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide (PubChem CID 166050621) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
PubChem CID166050621
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC NameN-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(Oc3ccnc4ccccc34)c2)cc1
InChIInChI=1S/C24H17N3O2/c25-15-17-8-10-18(11-9-17)16-27-24(28)19-4-3-5-20(14-19)29-23-12-13-26-22-7-2-1-6-21(22)23/h1-14H,16H2,(H,27,28)
InChIKeyDFZIRSIUHXOECJ-UHFFFAOYSA-N
XLogP4.83
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
CID 155779006
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 155779033
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
CID 155778881
N-[(3-acetylphenyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-acetylphenyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(4-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(4-cyanophenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 167667459
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
CID 167583586
N-benzyl-3-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 9253189
4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944410
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
CID 166187393

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide (CID 166050621) is N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide is N#Cc1ccc(CNC(=O)c2cccc(Oc3ccnc4ccccc34)c2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide?
The InChIKey is DFZIRSIUHXOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-15-17-8-10-18(11-9-17)16-27-24(28)19-4-3-5-20(14-19)29-23-12-13-26-22-7-2-1-6-21(22)23/h1-14H,16H2,(H,27,28).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide?
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide has a molecular weight of 379.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 166050621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).