4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile

C25H18N2O2 — CID 14774171

IUPAC4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C25H18N2O2/c26-16-19-10-8-18(9-11-19)14-25(28)21-5-3-6-23(15-21)29-17-22-13-12-20-4-1-2-7-24(20)27-22/h1-13,15H,14,17H2
InChIKeyFDXUEMPGGSDLSM-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.11
Rot. Bonds6

About 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile

4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile (PubChem CID 14774171) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
PubChem CID14774171
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
SMILESN#Cc1ccc(CC(=O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C25H18N2O2/c26-16-19-10-8-18(9-11-19)14-25(28)21-5-3-6-23(15-21)29-17-22-13-12-20-4-1-2-7-24(20)27-22/h1-13,15H,14,17H2
InChIKeyFDXUEMPGGSDLSM-UHFFFAOYSA-N
XLogP5.11
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
(4-cyanophenyl)methyl 3-quinolin-2-ylpropanoate
CID 46811628
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile?
The IUPAC name of 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile (CID 14774171) is 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile is N#Cc1ccc(CC(=O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1.
What is the InChIKey of 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile?
The InChIKey is FDXUEMPGGSDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c26-16-19-10-8-18(9-11-19)14-25(28)21-5-3-6-23(15-21)29-17-22-13-12-20-4-1-2-7-24(20)27-22/h1-13,15H,14,17H2.
What are the key properties of 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile?
4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile has a molecular weight of 378.43 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile is sourced from PubChem (CID 14774171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).